N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C13H12N4O3 — CID 60519288

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)oc3ccccc32)n[nH]1
InChIInChI=1S/C13H12N4O3/c1-8-6-11(16-15-8)14-12(18)7-17-9-4-2-3-5-10(9)20-13(17)19/h2-6H,7H2,1H3,(H2,14,15,16,18)
InChIKeyIPENVFXEUXUTLG-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.26
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 60519288) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID60519288
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)oc3ccccc32)n[nH]1
InChIInChI=1S/C13H12N4O3/c1-8-6-11(16-15-8)14-12(18)7-17-9-4-2-3-5-10(9)20-13(17)19/h2-6H,7H2,1H3,(H2,14,15,16,18)
InChIKeyIPENVFXEUXUTLG-UHFFFAOYSA-N
XLogP1.26
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 48507067
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115680796
N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1081528
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1096304
N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 134019204
N-(4-bromo-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580501
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1293188
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide
CID 46528508
N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122263466
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 60519288) is N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2c(=O)oc3ccccc32)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is IPENVFXEUXUTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-6-11(16-15-8)14-12(18)7-17-9-4-2-3-5-10(9)20-13(17)19/h2-6H,7H2,1H3,(H2,14,15,16,18).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 272.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 60519288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).