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

C15H19N3O2 — CID 3872955

IUPAC2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1coc(-c2ccc(N)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-3-12(4-2)17-14(19)13-9-20-15(18-13)10-5-7-11(16)8-6-10/h5-9,12H,3-4,16H2,1-2H3,(H,17,19)
InChIKeyXSQNECFCZHQESN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.84
Rot. Bonds5

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

2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 3872955) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide
PubChem CID3872955
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1coc(-c2ccc(N)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-3-12(4-2)17-14(19)13-9-20-15(18-13)10-5-7-11(16)8-6-10/h5-9,12H,3-4,16H2,1-2H3,(H,17,19)
InChIKeyXSQNECFCZHQESN-UHFFFAOYSA-N
XLogP2.84
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.84
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-hexadecyl-1,3-oxazole-4-carboxamide
CID 3847962
2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3835810
2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide
CID 84557151
2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3864472
2-(4-aminophenyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3871183
2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 5165501
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721
N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 111437218
methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788
2-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3854955

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide (CID 3872955) is 2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide is CCC(CC)NC(=O)c1coc(-c2ccc(N)cc2)n1.
What is the InChIKey of 2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is XSQNECFCZHQESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-12(4-2)17-14(19)13-9-20-15(18-13)10-5-7-11(16)8-6-10/h5-9,12H,3-4,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide?
2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.84, 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-pentan-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3872955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).