N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide

C21H15N3O3 — CID 10737032

IUPACN-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide
SMILESO=C(N(/N=C/c1ccccc1)c1ccccc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C21H15N3O3/c25-20(23-18-13-7-8-14-19(18)27-21(23)26)24(17-11-5-2-6-12-17)22-15-16-9-3-1-4-10-16/h1-15H/b22-15+
InChIKeyQHORFSPHFYAQBY-PXLXIMEGSA-N
MW357.37 g/mol
LogP4.10
Rot. Bonds3

About N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide

N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide (PubChem CID 10737032) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide
PubChem CID10737032
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC NameN-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide
SMILESO=C(N(/N=C/c1ccccc1)c1ccccc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C21H15N3O3/c25-20(23-18-13-7-8-14-19(18)27-21(23)26)24(17-11-5-2-6-12-17)22-15-16-9-3-1-4-10-16/h1-15H/b22-15+
InChIKeyQHORFSPHFYAQBY-PXLXIMEGSA-N
XLogP4.10
TPSA67.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenylprop-2-enoyl)-1,3-benzoxazol-2-one
CID 54360408
3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one
CID 20965391
N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 5412914
3-(3-hydroxy-2-methylpent-4-enoyl)-1,3-benzoxazol-2-one
CID 69466374
benzyl 2-oxo-1,3-benzoxazole-3-carboxylate
CID 56688108
N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carbohydrazide
CID 118520233
N-[(benzylideneamino)-phenylcarbamothioyl]benzamide
CID 71388235
3-(benzhydrylideneamino)-1,3-benzoxazol-2-one
CID 178098709
3-amino-1,3-benzoxazol-2-one
CID 11412466
3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one
CID 149456763
3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one
CID 59907748
2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide
CID 58607588

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide (CID 10737032) is N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide is O=C(N(/N=C/c1ccccc1)c1ccccc1)n1c(=O)oc2ccccc21.
What is the InChIKey of N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide?
The InChIKey is QHORFSPHFYAQBY-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-20(23-18-13-7-8-14-19(18)27-21(23)26)24(17-11-5-2-6-12-17)22-15-16-9-3-1-4-10-16/h1-15H/b22-15+.
What are the key properties of N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide?
N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 10737032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).