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

C12H15F3N2O2 — CID 126815716

IUPAC(4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
SMILESCc1ncoc1C(=O)N1CCCC(CC(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O2/c1-8-10(19-7-16-8)11(18)17-4-2-3-9(6-17)5-12(13,14)15/h7,9H,2-6H2,1H3
InChIKeyLIHGEPFQWZUPSQ-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.79
Rot. Bonds2

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

(4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone (PubChem CID 126815716) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
PubChem CID126815716
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
SMILESCc1ncoc1C(=O)N1CCCC(CC(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O2/c1-8-10(19-7-16-8)11(18)17-4-2-3-9(6-17)5-12(13,14)15/h7,9H,2-6H2,1H3
InChIKeyLIHGEPFQWZUPSQ-UHFFFAOYSA-N
XLogP2.79
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-Diazabicyclo[3.3.1]nonan-3-yl-(4-methyl-1,3-oxazol-5-yl)methanone
CID 59268963
US11142526, Example 130
CID 137533205
[2-(Cyclohexylmethyl)morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 45185168
4-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-2-(4-methylpentyl)morpholine
CID 50975783
7-(Cyclohexylmethyl)-2-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45214647
1'-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine
CID 56870910
1-Methanesulfonyl-4-[1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-YL]piperidine
CID 91910291
N-methyl-4-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide
CID 91921351
1-{4-(Methoxymethyl)-8-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]dec-2-yl}-1-ethanone
CID 91922122
[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110197502
5-(4-Methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201373
5-({1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidyl}carbonyl)-1,5-diazacycloundecan-2-one
CID 110201698

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone (CID 126815716) is (4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone is Cc1ncoc1C(=O)N1CCCC(CC(F)(F)F)C1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The InChIKey is LIHGEPFQWZUPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8-10(19-7-16-8)11(18)17-4-2-3-9(6-17)5-12(13,14)15/h7,9H,2-6H2,1H3.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
(4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone has a molecular weight of 276.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126815716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).