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

C17H17F3N2O2 — CID 138034460

IUPAC[4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESCc1ccccc1C1CCN(C(=O)c2ncoc2C(F)(F)F)CC1
InChIInChI=1S/C17H17F3N2O2/c1-11-4-2-3-5-13(11)12-6-8-22(9-7-12)16(23)14-15(17(18,19)20)24-10-21-14/h2-5,10,12H,6-9H2,1H3
InChIKeyVLSCPAUBFIVXTR-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.02
Rot. Bonds2

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

[4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (PubChem CID 138034460) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
PubChem CID138034460
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name[4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESCc1ccccc1C1CCN(C(=O)c2ncoc2C(F)(F)F)CC1
InChIInChI=1S/C17H17F3N2O2/c1-11-4-2-3-5-13(11)12-6-8-22(9-7-12)16(23)14-15(17(18,19)20)24-10-21-14/h2-5,10,12H,6-9H2,1H3
InChIKeyVLSCPAUBFIVXTR-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone
CID 126782330
2-[2-[4-(2-methylphenyl)piperidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 119184330
3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154747405
4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157281554
3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide
CID 56782455
2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120821717
(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157111803
2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one
CID 153400679
(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157188128
2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 159142820
2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid
CID 154843869
4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56708853

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (CID 138034460) is [4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is Cc1ccccc1C1CCN(C(=O)c2ncoc2C(F)(F)F)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is VLSCPAUBFIVXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11-4-2-3-5-13(11)12-6-8-22(9-7-12)16(23)14-15(17(18,19)20)24-10-21-14/h2-5,10,12H,6-9H2,1H3.
What are the key properties of [4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
[4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 338.33 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 138034460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).