2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide

C11H9N5O2 — CID 155949741

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cn[nH]n1
InChIInChI=1S/C11H9N5O2/c17-11(13-10-6-12-16-14-10)5-8-7-3-1-2-4-9(7)18-15-8/h1-4,6H,5H2,(H2,12,13,14,16,17)
InChIKeyDHHOBOHHSNQXQD-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.13
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide (PubChem CID 155949741) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
PubChem CID155949741
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cn[nH]n1
InChIInChI=1S/C11H9N5O2/c17-11(13-10-6-12-16-14-10)5-8-7-3-1-2-4-9(7)18-15-8/h1-4,6H,5H2,(H2,12,13,14,16,17)
InChIKeyDHHOBOHHSNQXQD-UHFFFAOYSA-N
XLogP1.13
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 104619644
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide
CID 102820520
2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 35532893
2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 9180265
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
CID 1235388
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide (CID 155949741) is 2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide is O=C(Cc1noc2ccccc12)Nc1cn[nH]n1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide?
The InChIKey is DHHOBOHHSNQXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c17-11(13-10-6-12-16-14-10)5-8-7-3-1-2-4-9(7)18-15-8/h1-4,6H,5H2,(H2,12,13,14,16,17).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide has a molecular weight of 243.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide is sourced from PubChem (CID 155949741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).