N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide

C11H11N3O2 — CID 66335876

IUPACN-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H11N3O2/c1-7-6-13-16-10(7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H,14,15)
InChIKeyDAWGWELTNLBWJJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.82
Rot. Bonds2

About N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide

N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 66335876) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID66335876
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H11N3O2/c1-7-6-13-16-10(7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H,14,15)
InChIKeyDAWGWELTNLBWJJ-UHFFFAOYSA-N
XLogP1.82
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335719
N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110860667
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110857529
4-methyl-N-(1H-pyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 66335411
2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336452
4-methyl-N-(3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 66335294
N-(2-amino-5-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66334365
N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110858747
N-(4-aminophenyl)-2,6-dimethylbenzamide
CID 114025945
N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335259

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 66335876) is N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is DAWGWELTNLBWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-6-13-16-10(7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H,14,15).
What are the key properties of N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66335876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).