N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide

C14H13F3N4O2 — CID 71702134

IUPACN-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide
SMILESO=C(Cc1cc(F)c(F)cc1F)Nc1n[nH]c(C2CCCO2)n1
InChIInChI=1S/C14H13F3N4O2/c15-8-6-10(17)9(16)4-7(8)5-12(22)18-14-19-13(20-21-14)11-2-1-3-23-11/h4,6,11H,1-3,5H2,(H2,18,19,20,21,22)
InChIKeyMUNHJVAOSRXPHR-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.25
Rot. Bonds4

About N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide

N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide (PubChem CID 71702134) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide
PubChem CID71702134
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC NameN-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide
SMILESO=C(Cc1cc(F)c(F)cc1F)Nc1n[nH]c(C2CCCO2)n1
InChIInChI=1S/C14H13F3N4O2/c15-8-6-10(17)9(16)4-7(8)5-12(22)18-14-19-13(20-21-14)11-2-1-3-23-11/h4,6,11H,1-3,5H2,(H2,18,19,20,21,22)
InChIKeyMUNHJVAOSRXPHR-UHFFFAOYSA-N
XLogP2.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide?
The IUPAC name of N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide (CID 71702134) is N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide?
The canonical SMILES for N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide is O=C(Cc1cc(F)c(F)cc1F)Nc1n[nH]c(C2CCCO2)n1.
What is the InChIKey of N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide?
The InChIKey is MUNHJVAOSRXPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-8-6-10(17)9(16)4-7(8)5-12(22)18-14-19-13(20-21-14)11-2-1-3-23-11/h4,6,11H,1-3,5H2,(H2,18,19,20,21,22).
What are the key properties of N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide?
N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide has a molecular weight of 326.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-2-(2,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 71702134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).