(4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

C17H17F3N2O2 — CID 124607744

IUPAC(4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C17H17F3N2O2/c1-11-14(24-15(21-11)12-6-3-2-4-7-12)16(23)22-9-5-8-13(10-22)17(18,19)20/h2-4,6-7,13H,5,8-10H2,1H3/t13-/m1/s1
InChIKeyZLMCOBFXFKNILP-CYBMUJFWSA-N
MW338.33 g/mol
LogP4.06
Rot. Bonds2

About (4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

(4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 124607744) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is (4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID124607744
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name(4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C17H17F3N2O2/c1-11-14(24-15(21-11)12-6-3-2-4-7-12)16(23)22-9-5-8-13(10-22)17(18,19)20/h2-4,6-7,13H,5,8-10H2,1H3/t13-/m1/s1
InChIKeyZLMCOBFXFKNILP-CYBMUJFWSA-N
XLogP4.06
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 119399002
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 119399001
1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindol-2-yl-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 128595879
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40856160
5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122118114
(3S,3aS,6aR)-2-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 129469420
(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 120537508
6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514826
(4-methyl-2-phenyl-1,3-oxazol-5-yl)-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)methanone
CID 122152811
(1-methyl-2-phenylindol-3-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 97075306
[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95296331
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115496980

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 124607744) is (4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is ZLMCOBFXFKNILP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11-14(24-15(21-11)12-6-3-2-4-7-12)16(23)22-9-5-8-13(10-22)17(18,19)20/h2-4,6-7,13H,5,8-10H2,1H3/t13-/m1/s1.
What are the key properties of (4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 338.33 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124607744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).