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

C16H13N3O2 — CID 89210653

IUPACN-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESNc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C16H13N3O2/c17-12-7-4-8-13(9-12)18-16(20)15-10-14(19-21-15)11-5-2-1-3-6-11/h1-10H,17H2,(H,18,20)
InChIKeyOENQTHBQQXIAIO-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.18
Rot. Bonds3

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

N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 89210653) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID89210653
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESNc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C16H13N3O2/c17-12-7-4-8-13(9-12)18-16(20)15-10-14(19-21-15)11-5-2-1-3-6-11/h1-10H,17H2,(H,18,20)
InChIKeyOENQTHBQQXIAIO-UHFFFAOYSA-N
XLogP3.18
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[3-(sulfamoylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60610490
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 56508067
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 46473887
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55666254
N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 60560386
N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 99577393
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 46476032
3-(3-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-5-carboxamide
CID 46949489
N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide
CID 177345266
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55764988
N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 134700846

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide (CID 89210653) is N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide is Nc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1.
What is the InChIKey of N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is OENQTHBQQXIAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-12-7-4-8-13(9-12)18-16(20)15-10-14(19-21-15)11-5-2-1-3-6-11/h1-10H,17H2,(H,18,20).
What are the key properties of N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide?
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 89210653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).