2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide

C16H18N4O3 — CID 46963920

IUPAC2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
SMILESCc1ccc2oc(=O)n(CC(=O)NCCn3ccc(C)n3)c2c1
InChIInChI=1S/C16H18N4O3/c1-11-3-4-14-13(9-11)20(16(22)23-14)10-15(21)17-6-8-19-7-5-12(2)18-19/h3-5,7,9H,6,8,10H2,1-2H3,(H,17,21)
InChIKeySLWXXOKQFPLISN-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.22
Rot. Bonds5

About 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide

2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide (PubChem CID 46963920) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
PubChem CID46963920
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
SMILESCc1ccc2oc(=O)n(CC(=O)NCCn3ccc(C)n3)c2c1
InChIInChI=1S/C16H18N4O3/c1-11-3-4-14-13(9-11)20(16(22)23-14)10-15(21)17-6-8-19-7-5-12(2)18-19/h3-5,7,9H,6,8,10H2,1-2H3,(H,17,21)
InChIKeySLWXXOKQFPLISN-UHFFFAOYSA-N
XLogP1.22
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide 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

N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46953007
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 2145483
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide
CID 61487292
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 59014323
5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one
CID 176909803
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide
CID 71808214
N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122263466
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 55870259
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide
CID 43447893
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
CID 126452314
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide (CID 46963920) is 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide is Cc1ccc2oc(=O)n(CC(=O)NCCn3ccc(C)n3)c2c1.
What is the InChIKey of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is SLWXXOKQFPLISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-3-4-14-13(9-11)20(16(22)23-14)10-15(21)17-6-8-19-7-5-12(2)18-19/h3-5,7,9H,6,8,10H2,1-2H3,(H,17,21).
What are the key properties of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide?
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 314.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 46963920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).