Chemical Components in the PDB

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OVO : Summary

Code

OVO

One-letter code

X

Molecule name

4-[4-(phenylmethyl)phenyl]-1,3-oxazol-2-amine

Synonyms

4-(4-benzylphenyl)-oxazol-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 3.1.0.0 4-[4-(phenylmethyl)phenyl]-1,3-oxazol-2-amine

Formula

C16 H14 N2 O

Formal charge

0

Molecular weight

250.295 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1occ(n1)c2ccc(Cc3ccccc3)cc2
SMILES OpenEye OEToolkits 3.1.0.0 c1ccc(cc1)Cc2ccc(cc2)c3coc(n3)N
Canonical SMILES CACTVS 3.385 Nc1occ(n1)c2ccc(Cc3ccccc3)cc2
Canonical SMILES OpenEye OEToolkits 3.1.0.0 c1ccc(cc1)Cc2ccc(cc2)c3coc(n3)N

IUPAC InChI

InChI=1S/C16H14N2O/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)

IUPAC InChI key

FZDQKNHCMWUWBD-UHFFFAOYSA-N
OVO

wwPDB Information

Atom count

33 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-09-05

Last modified at

2023-04-28

Status

Released

Obsoleted

Not Assigned