5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide

C18H15N3O2 — CID 138454533

IUPAC5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1
InChIInChI=1S/C18H15N3O2/c1-13(14-8-4-2-5-9-14)19-20-18(22)16-12-17(23-21-16)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,22)
InChIKeyLKJNWSFQZPSFEE-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.50
Rot. Bonds4

About 5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide

5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide (PubChem CID 138454533) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide
PubChem CID138454533
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1
InChIInChI=1S/C18H15N3O2/c1-13(14-8-4-2-5-9-14)19-20-18(22)16-12-17(23-21-16)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,22)
InChIKeyLKJNWSFQZPSFEE-UHFFFAOYSA-N
XLogP3.50
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.50
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-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide
CID 6324440
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine
CID 137224922
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 4024773
5-phenyl-1,2-oxazole-3-carbothioic S-acid
CID 144767525
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262518

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide (CID 138454533) is 5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide is CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1.
What is the InChIKey of 5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide?
The InChIKey is LKJNWSFQZPSFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-13(14-8-4-2-5-9-14)19-20-18(22)16-12-17(23-21-16)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,22).
What are the key properties of 5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide?
5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 138454533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).