3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide

C10H10F3N7O2 — CID 167799257

IUPAC3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)no1)N1CC(c2ncn[nH]2)C1
InChIInChI=1S/C10H10F3N7O2/c11-10(12,13)8-17-6(22-19-8)1-14-9(21)20-2-5(3-20)7-15-4-16-18-7/h4-5H,1-3H2,(H,14,21)(H,15,16,18)
InChIKeyACBMUCKRKTTXGL-UHFFFAOYSA-N
MW317.23 g/mol
LogP0.52
Rot. Bonds3

About 3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide

3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide (PubChem CID 167799257) has the molecular formula C10H10F3N7O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide
PubChem CID167799257
Molecular FormulaC10H10F3N7O2
Molecular Weight317.23 g/mol
Exact Mass317.08
IUPAC Name3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)no1)N1CC(c2ncn[nH]2)C1
InChIInChI=1S/C10H10F3N7O2/c11-10(12,13)8-17-6(22-19-8)1-14-9(21)20-2-5(3-20)7-15-4-16-18-7/h4-5H,1-3H2,(H,14,21)(H,15,16,18)
InChIKeyACBMUCKRKTTXGL-UHFFFAOYSA-N
XLogP0.52
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide?
The IUPAC name of 3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide (CID 167799257) is 3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide is O=C(NCc1nc(C(F)(F)F)no1)N1CC(c2ncn[nH]2)C1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide?
The InChIKey is ACBMUCKRKTTXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N7O2/c11-10(12,13)8-17-6(22-19-8)1-14-9(21)20-2-5(3-20)7-15-4-16-18-7/h4-5H,1-3H2,(H,14,21)(H,15,16,18).
What are the key properties of 3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide?
3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide has a molecular weight of 317.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 167799257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).