[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone

C19H17FN4O2 — CID 95714622

IUPAC[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nn1)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H17FN4O2/c20-15-8-6-14(7-9-15)18-13-23(10-11-26-18)19(25)17-12-24(22-21-17)16-4-2-1-3-5-16/h1-9,12,18H,10-11,13H2/t18-/m1/s1
InChIKeyQBYMWDUJQSUJLZ-GOSISDBHSA-N
MW352.37 g/mol
LogP2.62
Rot. Bonds3

About [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone

[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone (PubChem CID 95714622) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
PubChem CID95714622
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nn1)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H17FN4O2/c20-15-8-6-14(7-9-15)18-13-23(10-11-26-18)19(25)17-12-24(22-21-17)16-4-2-1-3-5-16/h1-9,12,18H,10-11,13H2/t18-/m1/s1
InChIKeyQBYMWDUJQSUJLZ-GOSISDBHSA-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

[2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 56891712
[1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone
CID 86985839
4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119239902
[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
CID 134044299
[2-(4-fluorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70743890
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 60958921
[2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119769790
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 38374130
(3-aminopyrazin-2-yl)-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38374250
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389
(3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 56864270

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone (CID 95714622) is [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone is O=C(c1cn(-c2ccccc2)nn1)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone?
The InChIKey is QBYMWDUJQSUJLZ-GOSISDBHSA-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)17-12-24(22-21-17)16-4-2-1-3-5-16/h1-9,12,18H,10-11,13H2/t18-/m1/s1.
What are the key properties of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone?
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-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 [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 95714622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).