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

C19H19N3O2 — CID 5165501

IUPAC2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(CNC(=O)c1coc(-c2ccc(N)cc2)n1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-13(14-5-3-2-4-6-14)11-21-18(23)17-12-24-19(22-17)15-7-9-16(20)10-8-15/h2-10,12-13H,11,20H2,1H3,(H,21,23)
InChIKeyKTTRGEGUUHPPLY-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.46
Rot. Bonds5

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

2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 5165501) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID5165501
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(CNC(=O)c1coc(-c2ccc(N)cc2)n1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-13(14-5-3-2-4-6-14)11-21-18(23)17-12-24-19(22-17)15-7-9-16(20)10-8-15/h2-10,12-13H,11,20H2,1H3,(H,21,23)
InChIKeyKTTRGEGUUHPPLY-UHFFFAOYSA-N
XLogP3.46
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.46
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-benzhydryl-1,3-oxazole-4-carboxamide
CID 3835810
N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 111437218
N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120651572
2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide
CID 3872955
2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3847962
2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3864472
2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3468332
2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide
CID 3672043
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide (CID 5165501) is 2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide is CC(CNC(=O)c1coc(-c2ccc(N)cc2)n1)c1ccccc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KTTRGEGUUHPPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(14-5-3-2-4-6-14)11-21-18(23)17-12-24-19(22-17)15-7-9-16(20)10-8-15/h2-10,12-13H,11,20H2,1H3,(H,21,23).
What are the key properties of 2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide?
2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5165501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).