A1D8X

(4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine

Created:	2024-06-07
Last modified:	2024-07-24

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2 entries where A1D8X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	6

2D diagram of A1D8X

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Chemical Component Summary
Name	(4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine
Systematic Name (OpenEye OEToolkits)	(4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-4,5-dihydro-1,3-oxazol-2-amine
Formula	C₁₀ H₁₁ F N₂ O
Molecular Weight	194.206
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1c(F)cccc1[CH]2COC(=N2)N
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cccc1F)C2COC(=N2)N
Canonical SMILES	CACTVS	3.385	Cc1c(F)cccc1[C@H]2COC(=N2)N
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cccc1F)[C@H]2COC(=N2)N
InChI	InChI	1.06	InChI=1S/C10H11FN2O/c1-6-7(3-2-4-8(6)11)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1
InChIKey	InChI	1.06	IOHOUWIYOVWGHV-SECBINFHSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3781694
PubChem	56835991
ChEMBL	CHEMBL3781694

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.