5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole

C11H11F3N4O — CID 166323924

IUPAC5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole
SMILESCc1c(Cn2cnc(C(F)(F)F)n2)noc1C1CC1
InChIInChI=1S/C11H11F3N4O/c1-6-8(17-19-9(6)7-2-3-7)4-18-5-15-10(16-18)11(12,13)14/h5,7H,2-4H2,1H3
InChIKeyPUWLEXOPKDQEIA-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.52
Rot. Bonds3

About 5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole

5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole (PubChem CID 166323924) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole
PubChem CID166323924
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole
SMILESCc1c(Cn2cnc(C(F)(F)F)n2)noc1C1CC1
InChIInChI=1S/C11H11F3N4O/c1-6-8(17-19-9(6)7-2-3-7)4-18-5-15-10(16-18)11(12,13)14/h5,7H,2-4H2,1H3
InChIKeyPUWLEXOPKDQEIA-UHFFFAOYSA-N
XLogP2.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole (CID 166323924) is 5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole is Cc1c(Cn2cnc(C(F)(F)F)n2)noc1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is PUWLEXOPKDQEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-6-8(17-19-9(6)7-2-3-7)4-18-5-15-10(16-18)11(12,13)14/h5,7H,2-4H2,1H3.
What are the key properties of 5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole?
5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 272.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-methyl-3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 166323924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).