Chemical Components in the PDB

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8AK : Summary

Code

8AK

One-letter code

X

Molecule name

N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide
OpenEye OEToolkits 2.0.7 ~{N}-cyclopropyl-5-methyl-~{N}-propan-2-yl-1,2-oxazole-3-carboxamide

Formula

C11 H16 N2 O2

Formal charge

0

Molecular weight

208.257 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cc1cc(no1)C(=O)N(C1CC1)C(C)C
SMILES CACTVS 3.385 CC(C)N(C1CC1)C(=O)c2cc(C)on2
SMILES OpenEye OEToolkits 2.0.7 Cc1cc(no1)C(=O)N(C2CC2)C(C)C
Canonical SMILES CACTVS 3.385 CC(C)N(C1CC1)C(=O)c2cc(C)on2
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cc(no1)C(=O)N(C2CC2)C(C)C

IUPAC InChI

InChI=1S/C11H16N2O2/c1-7(2)13(9-4-5-9)11(14)10-6-8(3)15-12-10/h6-7,9H,4-5H2,1-3H3

IUPAC InChI key

KOQGLXMVOJEOLV-UHFFFAOYSA-N
8AK

wwPDB Information

Atom count

31 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-09-14

Last modified at

2021-09-17

Status

Released

Obsoleted

Not Assigned