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

C14H17N3O2 — CID 3468332

IUPAC2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CNC(=O)c1coc(-c2ccccc2N)n1
InChIInChI=1S/C14H17N3O2/c1-9(2)7-16-13(18)12-8-19-14(17-12)10-5-3-4-6-11(10)15/h3-6,8-9H,7,15H2,1-2H3,(H,16,18)
InChIKeySEZRRIHDRRHYBV-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.31
Rot. Bonds4

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

2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 3468332) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID3468332
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CNC(=O)c1coc(-c2ccccc2N)n1
InChIInChI=1S/C14H17N3O2/c1-9(2)7-16-13(18)12-8-19-14(17-12)10-5-3-4-6-11(10)15/h3-6,8-9H,7,15H2,1-2H3,(H,16,18)
InChIKeySEZRRIHDRRHYBV-UHFFFAOYSA-N
XLogP2.31
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide
CID 3431845
2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3721367
2-(2-aminophenyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3295381
2-(2-aminophenyl)-N-octan-2-yl-1,3-oxazole-4-carboxamide
CID 3674790
2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5006646
2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3674009
2-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3597833
2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide
CID 3859588
2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832
2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 5165501
2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3549380
2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3871049

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (CID 3468332) is 2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is CC(C)CNC(=O)c1coc(-c2ccccc2N)n1.
What is the InChIKey of 2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SEZRRIHDRRHYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)7-16-13(18)12-8-19-14(17-12)10-5-3-4-6-11(10)15/h3-6,8-9H,7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3468332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).