4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide

C20H18N4O3 — CID 31907341

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H18N4O3/c25-19(22-15-8-10-16(11-9-15)24-14-4-12-21-24)7-3-13-23-17-5-1-2-6-18(17)27-20(23)26/h1-2,4-6,8-12,14H,3,7,13H2,(H,22,25)
InChIKeyLZAIJKOJCJVFAL-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.20
Rot. Bonds6

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide (PubChem CID 31907341) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
PubChem CID31907341
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H18N4O3/c25-19(22-15-8-10-16(11-9-15)24-14-4-12-21-24)7-3-13-23-17-5-1-2-6-18(17)27-20(23)26/h1-2,4-6,8-12,14H,3,7,13H2,(H,22,25)
InChIKeyLZAIJKOJCJVFAL-UHFFFAOYSA-N
XLogP3.20
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918
ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate
CID 4805932
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822337
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4782954
6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45165906
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 51949462
4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657656
7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
CID 43704126

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide (CID 31907341) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide is O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide?
The InChIKey is LZAIJKOJCJVFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-19(22-15-8-10-16(11-9-15)24-14-4-12-21-24)7-3-13-23-17-5-1-2-6-18(17)27-20(23)26/h1-2,4-6,8-12,14H,3,7,13H2,(H,22,25).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide has a molecular weight of 362.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide is sourced from PubChem (CID 31907341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).