2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

C16H14N4O2 — CID 719155

IUPAC2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Nc1ncn[nH]1
InChIInChI=1S/C16H14N4O2/c21-15(19-16-17-11-18-20-16)10-22-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18,19,20,21)
InChIKeyWDCRNQSGJLHNNQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.49
Rot. Bonds5

About 2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 719155) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID719155
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Nc1ncn[nH]1
InChIInChI=1S/C16H14N4O2/c21-15(19-16-17-11-18-20-16)10-22-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18,19,20,21)
InChIKeyWDCRNQSGJLHNNQ-UHFFFAOYSA-N
XLogP2.49
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 719155) is 2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)Nc1ncn[nH]1.
What is the InChIKey of 2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is WDCRNQSGJLHNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15(19-16-17-11-18-20-16)10-22-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18,19,20,21).
What are the key properties of 2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 294.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 719155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).