[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone

C19H17FN4O2 — CID 134044299

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H17FN4O2/c20-15-8-6-14(7-9-15)18-13-23(10-11-26-18)19(25)17-12-21-24(22-17)16-4-2-1-3-5-16/h1-9,12,18H,10-11,13H2
InChIKeySXLLRWMBUPMSBR-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.62
Rot. Bonds3

About [2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone

[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 134044299) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID134044299
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H17FN4O2/c20-15-8-6-14(7-9-15)18-13-23(10-11-26-18)19(25)17-12-21-24(22-17)16-4-2-1-3-5-16/h1-9,12,18H,10-11,13H2
InChIKeySXLLRWMBUPMSBR-UHFFFAOYSA-N
XLogP2.62
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 95714622
[2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 56891712
[2-(4-fluorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70743890
[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 60958921
(3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415200
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
[2-(4-fluorophenyl)cyclopropyl]-(2-phenylmorpholin-4-yl)methanone
CID 134040067
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
[2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 111435926
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 38374130
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone (CID 134044299) is [2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)n1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is SXLLRWMBUPMSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-8-6-14(7-9-15)18-13-23(10-11-26-18)19(25)17-12-21-24(22-17)16-4-2-1-3-5-16/h1-9,12,18H,10-11,13H2.
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 352.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 134044299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).