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

C16H16F3N3O2 — CID 90539837

IUPAC(2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H16F3N3O2/c1-10-4-2-3-5-12(10)14(23)22-8-6-11(7-9-22)13-20-21-15(24-13)16(17,18)19/h2-5,11H,6-9H2,1H3
InChIKeyZIYDXJIKYCFOJW-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.42
Rot. Bonds2

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

(2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 90539837) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is (2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID90539837
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name(2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H16F3N3O2/c1-10-4-2-3-5-12(10)14(23)22-8-6-11(7-9-22)13-20-21-15(24-13)16(17,18)19/h2-5,11H,6-9H2,1H3
InChIKeyZIYDXJIKYCFOJW-UHFFFAOYSA-N
XLogP3.42
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-(5-Isopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 44062002
(4-(5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 44062107
(4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(2,4-difluorophenyl)methanone
CID 44062151
(4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 44062159
(2-Fluorophenyl)(3-(5-neopentyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 44067836
(3-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 44069033
2-(2-Morpholin-4-ylethyl)-4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]phthalazin-1-one
CID 49845841
4,4,4-Trifluoro-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-piperidyl]butan-1-one
CID 56946371
(2-Fluorophenyl)(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 71792957
N,N-dimethyl-4-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl)benzenesulfonamide
CID 71792966
2-((4-(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methyl)benzonitrile
CID 71793482
2-(2,4-Difluorobenzoyl)-4-[5-(propan-2-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
CID 91912481

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 90539837) is (2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of (2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is ZIYDXJIKYCFOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-10-4-2-3-5-12(10)14(23)22-8-6-11(7-9-22)13-20-21-15(24-13)16(17,18)19/h2-5,11H,6-9H2,1H3.
What are the key properties of (2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 339.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90539837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).