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'}

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Related Compounds

3-amino-1,3-benzoxazol-2-one
CID 11412466
3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one
CID 102320886
3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one
CID 20965391
N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide
CID 44721311
N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide
CID 10737032
3-(3-phenylprop-2-enoyl)-1,3-benzoxazol-2-one
CID 54360408
3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one
CID 149456763
benzyl 2-oxo-1,3-benzoxazole-3-carboxylate
CID 56688108
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one
CID 20965381
3-(5-bromopentyl)-1,3-benzoxazol-2-one
CID 24806895
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457

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).