2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide

C15H19N3O2 — CID 119778984

IUPAC2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
SMILESCc1noc(C)c1CCNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H19N3O2/c1-10-14(11(2)20-18-10)7-8-17-15(19)9-12-3-5-13(16)6-4-12/h3-6H,7-9,16H2,1-2H3,(H,17,19)
InChIKeyZLWASXQDSKBNLU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.78
Rot. Bonds5

About 2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide

2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide (PubChem CID 119778984) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
PubChem CID119778984
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
SMILESCc1noc(C)c1CCNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H19N3O2/c1-10-14(11(2)20-18-10)7-8-17-15(19)9-12-3-5-13(16)6-4-12/h3-6H,7-9,16H2,1-2H3,(H,17,19)
InChIKeyZLWASXQDSKBNLU-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267
N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride
CID 119547677
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053
3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide
CID 119951357
ethyl N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamate
CID 110646305
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 18132174
2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7398980
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18133754
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-pentylacetamide
CID 26532652
2-(4-aminophenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119891738
2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride
CID 119882678

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide (CID 119778984) is 2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide is Cc1noc(C)c1CCNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide?
The InChIKey is ZLWASXQDSKBNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-14(11(2)20-18-10)7-8-17-15(19)9-12-3-5-13(16)6-4-12/h3-6H,7-9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide?
2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.78, 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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 119778984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).