[5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol

C18H23FN4O2 — CID 126733436

IUPAC[5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2F)nnn1C1CCN(C2CCOCC2)C1
InChIInChI=1S/C18H23FN4O2/c19-16-4-2-1-3-15(16)18-17(12-24)23(21-20-18)14-5-8-22(11-14)13-6-9-25-10-7-13/h1-4,13-14,24H,5-12H2
InChIKeyLXLNHZPQODXJBN-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.00
Rot. Bonds4

About [5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol

[5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol (PubChem CID 126733436) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol
PubChem CID126733436
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name[5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2F)nnn1C1CCN(C2CCOCC2)C1
InChIInChI=1S/C18H23FN4O2/c19-16-4-2-1-3-15(16)18-17(12-24)23(21-20-18)14-5-8-22(11-14)13-6-9-25-10-7-13/h1-4,13-14,24H,5-12H2
InChIKeyLXLNHZPQODXJBN-UHFFFAOYSA-N
XLogP2.00
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol?
The IUPAC name of [5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol (CID 126733436) is [5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol.
What is the SMILES notation for [5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol?
The canonical SMILES for [5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol is OCc1c(-c2ccccc2F)nnn1C1CCN(C2CCOCC2)C1.
What is the InChIKey of [5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol?
The InChIKey is LXLNHZPQODXJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c19-16-4-2-1-3-15(16)18-17(12-24)23(21-20-18)14-5-8-22(11-14)13-6-9-25-10-7-13/h1-4,13-14,24H,5-12H2.
What are the key properties of [5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol?
[5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol has a molecular weight of 346.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol is sourced from PubChem (CID 126733436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).