[5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone

C21H23F3N2O3 — CID 101152342

IUPAC[5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc(-c2ccc(C(F)(F)F)cc2)oc1C1CCCCC1)N1CCOCC1
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)16-8-6-15(7-9-16)19-25-17(20(27)26-10-12-28-13-11-26)18(29-19)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2
InChIKeyUYYXEISZPWKICQ-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.88
Rot. Bonds3

About [5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone

[5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 101152342) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is [5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
PubChem CID101152342
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name[5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc(-c2ccc(C(F)(F)F)cc2)oc1C1CCCCC1)N1CCOCC1
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)16-8-6-15(7-9-16)19-25-17(20(27)26-10-12-28-13-11-26)18(29-19)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2
InChIKeyUYYXEISZPWKICQ-UHFFFAOYSA-N
XLogP4.88
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 62586319
1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid
CID 75384526
5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 2782932
[5-[4-(dimethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 70167063
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
[4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 86841112
morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone
CID 70983578
(2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069158
N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 46376822
N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84557279
quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069125
1-morpholin-4-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 18152175

Frequently Asked Questions

What is the IUPAC name of [5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (CID 101152342) is [5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is O=C(c1nc(-c2ccc(C(F)(F)F)cc2)oc1C1CCCCC1)N1CCOCC1.
What is the InChIKey of [5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is UYYXEISZPWKICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c22-21(23,24)16-8-6-15(7-9-16)19-25-17(20(27)26-10-12-28-13-11-26)18(29-19)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2.
What are the key properties of [5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
[5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 408.42 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 101152342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).