N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide

C12H13N3O2 — CID 63229882

IUPACN-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCN(C(=O)c1ccon1)c1cccc(N)c1
InChIInChI=1S/C12H13N3O2/c1-2-15(10-5-3-4-9(13)8-10)12(16)11-6-7-17-14-11/h3-8H,2,13H2,1H3
InChIKeyZJTHHZNPGUOXPT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.92
Rot. Bonds3

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

N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 63229882) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide
PubChem CID63229882
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCN(C(=O)c1ccon1)c1cccc(N)c1
InChIInChI=1S/C12H13N3O2/c1-2-15(10-5-3-4-9(13)8-10)12(16)11-6-7-17-14-11/h3-8H,2,13H2,1H3
InChIKeyZJTHHZNPGUOXPT-UHFFFAOYSA-N
XLogP1.92
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 63229786
N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
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N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide
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N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
CID 107937517
N-(3-aminophenyl)-3-bromo-N-ethyl-4-methylbenzamide
CID 81471443
N-(3-aminophenyl)-4-cyano-N-ethylbenzamide
CID 63229875
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
CID 63229837
N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106826094
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
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2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate
CID 63229674

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide (CID 63229882) is N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide is CCN(C(=O)c1ccon1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZJTHHZNPGUOXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-15(10-5-3-4-9(13)8-10)12(16)11-6-7-17-14-11/h3-8H,2,13H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide?
N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 63229882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).