Chemical Components in the PDB

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A1D8X : Summary

Code

A1D8X

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-4,5-dihydro-1,3-oxazol-2-amine

Formula

C10 H11 F N2 O

Formal charge

0

Molecular weight

194.206 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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

IUPAC InChI key

IOHOUWIYOVWGHV-SECBINFHSA-N
A1D8X

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2024-06-07

Last modified at

2024-07-19

Status

Released

Obsoleted

Not Assigned