(2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone

C13H17F3N2O3 — CID 126827791

IUPAC(2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2C(O)C(F)(F)F)c(C)o1
InChIInChI=1S/C13H17F3N2O3/c1-7-10(17-8(2)21-7)12(20)18-6-4-3-5-9(18)11(19)13(14,15)16/h9,11,19H,3-6H2,1-2H3
InChIKeyJFZYXVJZINPWEE-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.21
Rot. Bonds2

About (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone

(2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 126827791) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID126827791
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name(2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2C(O)C(F)(F)F)c(C)o1
InChIInChI=1S/C13H17F3N2O3/c1-7-10(17-8(2)21-7)12(20)18-6-4-3-5-9(18)11(19)13(14,15)16/h9,11,19H,3-6H2,1-2H3
InChIKeyJFZYXVJZINPWEE-UHFFFAOYSA-N
XLogP2.21
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S,5R)-3-(4,4-difluoropiperidin-1-yl)-4,5-dihydroxyazepan-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 118740324
1-Cyclohexyl-4-(2,5-dimethyl-1,3-oxazole-4-carbonyl)piperazine
CID 53195174
(2-Isopropyl-5-methyl-1,3-oxazol-4-yl)(morpholino)methanone
CID 53195248
(2,5-Dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone
CID 122153255
(2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 136582247
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 164632721
2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 122152785
2,5-dimethyl-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 125145225
2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 125145226
(2,5-Dimethyl-1,3-oxazol-4-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 137974925
(2,5-Dimethyl-1,3-oxazol-4-yl)-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]methanone
CID 137976990
(2-Ethyl-5-methyl-1,3-oxazol-4-yl)-[2,2,6-trimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone
CID 137980525

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone (CID 126827791) is (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCCC2C(O)C(F)(F)F)c(C)o1.
What is the InChIKey of (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is JFZYXVJZINPWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-7-10(17-8(2)21-7)12(20)18-6-4-3-5-9(18)11(19)13(14,15)16/h9,11,19H,3-6H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
(2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 306.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126827791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).