2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C19H16N4O2 — CID 51488523

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H16N4O2/c24-19(10-17-16-8-4-5-9-18(16)25-22-17)20-11-14-12-21-23(13-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,20,24)
InChIKeyISZAFMJZZHVPOR-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.87
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 51488523) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID51488523
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H16N4O2/c24-19(10-17-16-8-4-5-9-18(16)25-22-17)20-11-14-12-21-23(13-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,20,24)
InChIKeyISZAFMJZZHVPOR-UHFFFAOYSA-N
XLogP2.87
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
2-(1,2-benzoxazol-3-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
CID 71790677
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134035531
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
methyl 4-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 18152301
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 51488523) is 2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is O=C(Cc1noc2ccccc12)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is ISZAFMJZZHVPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-19(10-17-16-8-4-5-9-18(16)25-22-17)20-11-14-12-21-23(13-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,20,24).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 332.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 51488523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).