4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine

C25H23FN4O — CID 11384438

IUPAC4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine
SMILESFc1ccccc1-c1c(CN2CCOCC2)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23FN4O/c26-23-9-5-4-8-22(23)25-24(18-29-14-16-31-17-15-29)27-28-30(25)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-13H,14-18H2
InChIKeyMGSBOZOOBGIUAJ-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.57
Rot. Bonds5

About 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine

4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine (PubChem CID 11384438) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine
PubChem CID11384438
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine
SMILESFc1ccccc1-c1c(CN2CCOCC2)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23FN4O/c26-23-9-5-4-8-22(23)25-24(18-29-14-16-31-17-15-29)27-28-30(25)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-13H,14-18H2
InChIKeyMGSBOZOOBGIUAJ-UHFFFAOYSA-N
XLogP4.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]ethyl]-1,4-oxazepane
CID 142949271
4-ethyl-2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]morpholine
CID 91119328
4-[5-amino-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-1-yl]benzoic acid
CID 2336523
1-[5-(2-fluorophenyl)-4-(morpholin-4-ylmethyl)pyrazol-1-yl]-4-phenylcyclohexa-2,4-diene-1-carbonitrile
CID 174490235
4-[[5-(4-fluorophenyl)-4-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
CID 155546046
1-[[1-[4-(5-benzyl-1,3-dioxol-4-yl)phenyl]-5-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 69361882
4-[[5-(2-fluorophenyl)-1-(1-methoxy-4-phenylcyclohexa-2,4-dien-1-yl)pyrazol-4-yl]methyl]morpholine
CID 174490270
4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
CID 138674498
3-methyl-6-[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid
CID 85469018
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine
CID 94674503
2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide
CID 131964415

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine (CID 11384438) is 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine is Fc1ccccc1-c1c(CN2CCOCC2)nnn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine?
The InChIKey is MGSBOZOOBGIUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-23-9-5-4-8-22(23)25-24(18-29-14-16-31-17-15-29)27-28-30(25)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-13H,14-18H2.
What are the key properties of 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine?
4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine has a molecular weight of 414.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 11384438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).