5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide

C14H16N4O3 — CID 169404622

IUPAC5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1OC1CCOCC1
InChIInChI=1S/C14H16N4O3/c15-14(19)13-12(16-18-17-13)10-3-1-2-4-11(10)21-9-5-7-20-8-6-9/h1-4,9H,5-8H2,(H2,15,19)(H,16,17,18)
InChIKeyCWGMWFXBBXKPLB-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.13
Rot. Bonds4

About 5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide

5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169404622) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide
PubChem CID169404622
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1OC1CCOCC1
InChIInChI=1S/C14H16N4O3/c15-14(19)13-12(16-18-17-13)10-3-1-2-4-11(10)21-9-5-7-20-8-6-9/h1-4,9H,5-8H2,(H2,15,19)(H,16,17,18)
InChIKeyCWGMWFXBBXKPLB-UHFFFAOYSA-N
XLogP1.13
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide (CID 169404622) is 5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccccc1OC1CCOCC1.
What is the InChIKey of 5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is CWGMWFXBBXKPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-14(19)13-12(16-18-17-13)10-3-1-2-4-11(10)21-9-5-7-20-8-6-9/h1-4,9H,5-8H2,(H2,15,19)(H,16,17,18).
What are the key properties of 5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide?
5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).