1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole

C19H17ClFN3O — CID 67814442

IUPAC1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
SMILESFc1ccc(C2(Cn3cncn3)OCCC2c2ccccc2Cl)cc1
InChIInChI=1S/C19H17ClFN3O/c20-18-4-2-1-3-16(18)17-9-10-25-19(17,11-24-13-22-12-23-24)14-5-7-15(21)8-6-14/h1-8,12-13,17H,9-11H2
InChIKeyRUSMNOODSPXGNX-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.17
Rot. Bonds4

About 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole

1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole (PubChem CID 67814442) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
PubChem CID67814442
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
SMILESFc1ccc(C2(Cn3cncn3)OCCC2c2ccccc2Cl)cc1
InChIInChI=1S/C19H17ClFN3O/c20-18-4-2-1-3-16(18)17-9-10-25-19(17,11-24-13-22-12-23-24)14-5-7-15(21)8-6-14/h1-8,12-13,17H,9-11H2
InChIKeyRUSMNOODSPXGNX-UHFFFAOYSA-N
XLogP4.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole (CID 67814442) is 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole is Fc1ccc(C2(Cn3cncn3)OCCC2c2ccccc2Cl)cc1.
What is the InChIKey of 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole?
The InChIKey is RUSMNOODSPXGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c20-18-4-2-1-3-16(18)17-9-10-25-19(17,11-24-13-22-12-23-24)14-5-7-15(21)8-6-14/h1-8,12-13,17H,9-11H2.
What are the key properties of 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole?
1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole has a molecular weight of 357.82 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole is sourced from PubChem (CID 67814442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).