N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide

C17H13N3O2 — CID 3753779

IUPACN-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NN=Cc1ccccc1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C17H13N3O2/c21-16(20-18-11-13-7-3-1-4-8-13)15-12-22-17(19-15)14-9-5-2-6-10-14/h1-12H,(H,20,21)
InChIKeyGZNHFCHGRXGGBQ-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.11
Rot. Bonds4

About N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide

N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 3753779) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID3753779
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NN=Cc1ccccc1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C17H13N3O2/c21-16(20-18-11-13-7-3-1-4-8-13)15-12-22-17(19-15)14-9-5-2-6-10-14/h1-12H,(H,20,21)
InChIKeyGZNHFCHGRXGGBQ-UHFFFAOYSA-N
XLogP3.11
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methyl-N-[(4-methylphenyl)methylideneamino]-2-phenyl-1,3-oxazole-5-carboxamide
CID 70622767
N-[(E)-benzylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
CID 44726099
2-phenyl-N-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 119390406
N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120651572
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
CID 10243365
N-(benzylideneamino)-4-oxo-3H-quinazoline-2-carboxamide
CID 135449642
N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide
CID 44721589
[(E)-benzylideneamino]urea
CID 6861419
N-(2-amino-1-cyclopropylethyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 119617767
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 50755014
5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide
CID 129431951

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide (CID 3753779) is N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide is O=C(NN=Cc1ccccc1)c1coc(-c2ccccc2)n1.
What is the InChIKey of N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is GZNHFCHGRXGGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16(20-18-11-13-7-3-1-4-8-13)15-12-22-17(19-15)14-9-5-2-6-10-14/h1-12H,(H,20,21).
What are the key properties of N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide?
N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3753779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).