2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide

C16H12ClN3O2 — CID 3857565

IUPAC2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)co2)cc1
InChIInChI=1S/C16H12ClN3O2/c17-11-3-7-13(8-4-11)19-15(21)14-9-22-16(20-14)10-1-5-12(18)6-2-10/h1-9H,18H2,(H,19,21)
InChIKeyLXPDYCOFBPPCIC-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.83
Rot. Bonds3

About 2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide

2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3857565) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID3857565
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)co2)cc1
InChIInChI=1S/C16H12ClN3O2/c17-11-3-7-13(8-4-11)19-15(21)14-9-22-16(20-14)10-1-5-12(18)6-2-10/h1-9H,18H2,(H,19,21)
InChIKeyLXPDYCOFBPPCIC-UHFFFAOYSA-N
XLogP3.83
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.83
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

2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3854955
1-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 115084507
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552776
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide
CID 3872955
2-(4-aminophenyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3871183
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553281
2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 3273917
2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3835810
2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide
CID 3859588
2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3847962
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552922

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide (CID 3857565) is 2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide is Nc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)co2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LXPDYCOFBPPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-11-3-7-13(8-4-11)19-15(21)14-9-22-16(20-14)10-1-5-12(18)6-2-10/h1-9H,18H2,(H,19,21).
What are the key properties of 2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide?
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3857565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).