2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine

C21H23FN4O2 — CID 56875850

IUPAC2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine
SMILESCOc1ccc(CN2CCOC(c3ccc(F)cc3)C2)cc1Cn1cncn1
InChIInChI=1S/C21H23FN4O2/c1-27-20-7-2-16(10-18(20)12-26-15-23-14-24-26)11-25-8-9-28-21(13-25)17-3-5-19(22)6-4-17/h2-7,10,14-15,21H,8-9,11-13H2,1H3
InChIKeyCOTIYOZOYFFELS-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.05
Rot. Bonds6

About 2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine

2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine (PubChem CID 56875850) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine
PubChem CID56875850
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine
SMILESCOc1ccc(CN2CCOC(c3ccc(F)cc3)C2)cc1Cn1cncn1
InChIInChI=1S/C21H23FN4O2/c1-27-20-7-2-16(10-18(20)12-26-15-23-14-24-26)11-25-8-9-28-21(13-25)17-3-5-19(22)6-4-17/h2-7,10,14-15,21H,8-9,11-13H2,1H3
InChIKeyCOTIYOZOYFFELS-UHFFFAOYSA-N
XLogP3.05
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine 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 2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine?
The IUPAC name of 2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine (CID 56875850) is 2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine is COc1ccc(CN2CCOC(c3ccc(F)cc3)C2)cc1Cn1cncn1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine?
The InChIKey is COTIYOZOYFFELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-27-20-7-2-16(10-18(20)12-26-15-23-14-24-26)11-25-8-9-28-21(13-25)17-3-5-19(22)6-4-17/h2-7,10,14-15,21H,8-9,11-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine?
2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine has a molecular weight of 382.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 56875850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).