1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone

C20H19FN4O2 — CID 159692507

IUPAC1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN4O2/c21-16-5-7-17(8-6-16)25-23-12-18(24-25)19(26)11-14-1-3-15(4-2-14)20-13-22-9-10-27-20/h1-8,12,20,22H,9-11,13H2/t20-/m1/s1
InChIKeyMWPBEOGHRUXPCH-HXUWFJFHSA-N
MW366.40 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone

1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone (PubChem CID 159692507) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
PubChem CID159692507
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN4O2/c21-16-5-7-17(8-6-16)25-23-12-18(24-25)19(26)11-14-1-3-15(4-2-14)20-13-22-9-10-27-20/h1-8,12,20,22H,9-11,13H2/t20-/m1/s1
InChIKeyMWPBEOGHRUXPCH-HXUWFJFHSA-N
XLogP2.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 160749062
1-[2-(4-ethoxyphenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 147141774
2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
CID 90047217
2-(3-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 159879125
1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride
CID 160959790
2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047249
1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
CID 58315805
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087883
1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 158287543
1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 160713811
2-(2-chloro-4-morpholin-2-ylphenyl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]ethanone
CID 158558850

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone (CID 159692507) is 1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone is O=C(Cc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The InChIKey is MWPBEOGHRUXPCH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-5-7-17(8-6-16)25-23-12-18(24-25)19(26)11-14-1-3-15(4-2-14)20-13-22-9-10-27-20/h1-8,12,20,22H,9-11,13H2/t20-/m1/s1.
What are the key properties of 1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone has a molecular weight of 366.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone is sourced from PubChem (CID 159692507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).