[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol

C14H17F2N3O2 — CID 163948667

IUPAC[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol
SMILESOC[C@@H]1CO[C@@](CN2CN=CN2)(c2ccc(F)cc2F)C1
InChIInChI=1S/C14H17F2N3O2/c15-11-1-2-12(13(16)3-11)14(4-10(5-20)6-21-14)7-19-9-17-8-18-19/h1-3,8,10,20H,4-7,9H2,(H,17,18)/t10-,14+/m1/s1
InChIKeyRXJNFMPJJRZGPM-YGRLFVJLSA-N
MW297.30 g/mol
LogP0.99
Rot. Bonds4

About [(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol

[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol (PubChem CID 163948667) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.30 g/mol. Its IUPAC name is [(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol
PubChem CID163948667
Molecular FormulaC14H17F2N3O2
Molecular Weight297.30 g/mol
Exact Mass297.13
IUPAC Name[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol
SMILESOC[C@@H]1CO[C@@](CN2CN=CN2)(c2ccc(F)cc2F)C1
InChIInChI=1S/C14H17F2N3O2/c15-11-1-2-12(13(16)3-11)14(4-10(5-20)6-21-14)7-19-9-17-8-18-19/h1-3,8,10,20H,4-7,9H2,(H,17,18)/t10-,14+/m1/s1
InChIKeyRXJNFMPJJRZGPM-YGRLFVJLSA-N
XLogP0.99
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-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 [(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol?
The IUPAC name of [(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol (CID 163948667) is [(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol?
The canonical SMILES for [(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol is OC[C@@H]1CO[C@@](CN2CN=CN2)(c2ccc(F)cc2F)C1.
What is the InChIKey of [(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol?
The InChIKey is RXJNFMPJJRZGPM-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c15-11-1-2-12(13(16)3-11)14(4-10(5-20)6-21-14)7-19-9-17-8-18-19/h1-3,8,10,20H,4-7,9H2,(H,17,18)/t10-,14+/m1/s1.
What are the key properties of [(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol?
[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol has a molecular weight of 297.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-(2,4-difluorophenyl)-5-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 163948667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).