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

C16H21N3O2 — CID 3431845

IUPAC2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CC(C)NC(=O)c1coc(-c2ccccc2N)n1
InChIInChI=1S/C16H21N3O2/c1-10(2)8-11(3)18-15(20)14-9-21-16(19-14)12-6-4-5-7-13(12)17/h4-7,9-11H,8,17H2,1-3H3,(H,18,20)
InChIKeyVAEUZQFUMQHCSP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.09
Rot. Bonds5

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

2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 3431845) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID3431845
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CC(C)NC(=O)c1coc(-c2ccccc2N)n1
InChIInChI=1S/C16H21N3O2/c1-10(2)8-11(3)18-15(20)14-9-21-16(19-14)12-6-4-5-7-13(12)17/h4-7,9-11H,8,17H2,1-3H3,(H,18,20)
InChIKeyVAEUZQFUMQHCSP-UHFFFAOYSA-N
XLogP3.09
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.09
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-(2-aminophenyl)-N-octan-2-yl-1,3-oxazole-4-carboxamide
CID 3674790
2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3468332
2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3674009
2-(2-aminophenyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3721367
2-(2-aminophenyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3295381
methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788
2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide
CID 3859588
2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5006646
4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63375215
2-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3597833
2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832
2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide
CID 3809103

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide (CID 3431845) is 2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide is CC(C)CC(C)NC(=O)c1coc(-c2ccccc2N)n1.
What is the InChIKey of 2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is VAEUZQFUMQHCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)8-11(3)18-15(20)14-9-21-16(19-14)12-6-4-5-7-13(12)17/h4-7,9-11H,8,17H2,1-3H3,(H,18,20).
What are the key properties of 2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide?
2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3431845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).