2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide

C19H16N4O3 — CID 131891106

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1-n1cccn1
InChIInChI=1S/C19H16N4O3/c24-18(13-22-16-8-3-4-9-17(16)26-19(22)25)20-12-14-6-1-2-7-15(14)23-11-5-10-21-23/h1-11H,12-13H2,(H,20,24)
InChIKeyDVDHHXFPKUINCO-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.10
Rot. Bonds5

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 131891106) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID131891106
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1-n1cccn1
InChIInChI=1S/C19H16N4O3/c24-18(13-22-16-8-3-4-9-17(16)26-19(22)25)20-12-14-6-1-2-7-15(14)23-11-5-10-21-23/h1-11H,12-13H2,(H,20,24)
InChIKeyDVDHHXFPKUINCO-UHFFFAOYSA-N
XLogP2.10
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131905602
N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122263466
N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115620138
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 71901762
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide
CID 71808214
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
CID 136579374
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 48834750

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide (CID 131891106) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1-n1cccn1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is DVDHHXFPKUINCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-18(13-22-16-8-3-4-9-17(16)26-19(22)25)20-12-14-6-1-2-7-15(14)23-11-5-10-21-23/h1-11H,12-13H2,(H,20,24).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 348.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 131891106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).