3-(benzhydrylideneamino)-1,3-benzoxazol-2-one

C20H14N2O2 — CID 178098709

IUPAC3-(benzhydrylideneamino)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14N2O2/c23-20-22(17-13-7-8-14-18(17)24-20)21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyCYOZOIQUWKLPFJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.90
Rot. Bonds3

About 3-(benzhydrylideneamino)-1,3-benzoxazol-2-one

3-(benzhydrylideneamino)-1,3-benzoxazol-2-one (PubChem CID 178098709) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-(benzhydrylideneamino)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(benzhydrylideneamino)-1,3-benzoxazol-2-one
PubChem CID178098709
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name3-(benzhydrylideneamino)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14N2O2/c23-20-22(17-13-7-8-14-18(17)24-20)21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyCYOZOIQUWKLPFJ-UHFFFAOYSA-N
XLogP3.90
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(benzhydrylideneamino)-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzhydrylideneamino)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(benzhydrylideneamino)-1,3-benzoxazol-2-one (CID 178098709) is 3-(benzhydrylideneamino)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(benzhydrylideneamino)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(benzhydrylideneamino)-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzhydrylideneamino)-1,3-benzoxazol-2-one?
The InChIKey is CYOZOIQUWKLPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20-22(17-13-7-8-14-18(17)24-20)21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 3-(benzhydrylideneamino)-1,3-benzoxazol-2-one?
3-(benzhydrylideneamino)-1,3-benzoxazol-2-one has a molecular weight of 314.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydrylideneamino)-1,3-benzoxazol-2-one is sourced from PubChem (CID 178098709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).