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

C14H14N4O2 — CID 104619644

IUPAC2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1cc(NC(=O)Cc2noc3ccccc23)n[nH]1
InChIInChI=1S/C14H14N4O2/c1-2-9-7-13(17-16-9)15-14(19)8-11-10-5-3-4-6-12(10)20-18-11/h3-7H,2,8H2,1H3,(H2,15,16,17,19)
InChIKeyWVQPJCYKZYDRSO-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.29
Rot. Bonds4

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

2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 104619644) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
PubChem CID104619644
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1cc(NC(=O)Cc2noc3ccccc23)n[nH]1
InChIInChI=1S/C14H14N4O2/c1-2-9-7-13(17-16-9)15-14(19)8-11-10-5-3-4-6-12(10)20-18-11/h3-7H,2,8H2,1H3,(H2,15,16,17,19)
InChIKeyWVQPJCYKZYDRSO-UHFFFAOYSA-N
XLogP2.29
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 113229818
2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
CID 155949741
2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide
CID 102820520
2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 9324369
2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 87006319
N-(5-ethyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619581
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 22519739
2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide
CID 51217571
2-(1,2-benzoxazol-3-yl)-N-(2,5-diethoxyphenyl)acetamide
CID 35540282
2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 35532893

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide (CID 104619644) is 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide is CCc1cc(NC(=O)Cc2noc3ccccc23)n[nH]1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is WVQPJCYKZYDRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-9-7-13(17-16-9)15-14(19)8-11-10-5-3-4-6-12(10)20-18-11/h3-7H,2,8H2,1H3,(H2,15,16,17,19).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 104619644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).