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

C21H20F2N4O3 — CID 160749062

IUPAC1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C21H20F2N4O3/c22-21(23)30-17-7-5-16(6-8-17)27-25-12-18(26-27)19(28)11-14-1-3-15(4-2-14)20-13-24-9-10-29-20/h1-8,12,20-21,24H,9-11,13H2/t20-/m1/s1
InChIKeyRWOOLIITHRMMBL-HXUWFJFHSA-N
MW414.41 g/mol
LogP2.95
Rot. Bonds7

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

1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone (PubChem CID 160749062) has the molecular formula C21H20F2N4O3 and a molecular weight of 414.41 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
PubChem CID160749062
Molecular FormulaC21H20F2N4O3
Molecular Weight414.41 g/mol
Exact Mass414.15
IUPAC Name1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C21H20F2N4O3/c22-21(23)30-17-7-5-16(6-8-17)27-25-12-18(26-27)19(28)11-14-1-3-15(4-2-14)20-13-24-9-10-29-20/h1-8,12,20-21,24H,9-11,13H2/t20-/m1/s1
InChIKeyRWOOLIITHRMMBL-HXUWFJFHSA-N
XLogP2.95
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone with MolForge

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Related Compounds

1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 159692507
1-[2-(4-ethoxyphenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 147141774
(2R)-2-[4-(difluoromethoxy)phenyl]morpholine
CID 93302393
2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047249
2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
CID 90047217
1-[4-(difluoromethoxy)phenyl]-N-(4-morpholin-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 90047267
1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride
CID 160959790
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
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-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone (CID 160749062) is 1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone is O=C(Cc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The InChIKey is RWOOLIITHRMMBL-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c22-21(23)30-17-7-5-16(6-8-17)27-25-12-18(26-27)19(28)11-14-1-3-15(4-2-14)20-13-24-9-10-29-20/h1-8,12,20-21,24H,9-11,13H2/t20-/m1/s1.
What are the key properties of 1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone has a molecular weight of 414.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)phenyl]triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone is sourced from PubChem (CID 160749062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).