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

C16H16F3N3O2 — CID 71793038

IUPAC(2-methylphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C16H16F3N3O2/c1-10-5-2-3-7-12(10)14(23)22-8-4-6-11(9-22)13-20-21-15(24-13)16(17,18)19/h2-3,5,7,11H,4,6,8-9H2,1H3
InChIKeyAXBVYGCYUSXHBR-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.42
Rot. Bonds2

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

(2-methylphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 71793038) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is (2-methylphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID71793038
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name(2-methylphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C16H16F3N3O2/c1-10-5-2-3-7-12(10)14(23)22-8-4-6-11(9-22)13-20-21-15(24-13)16(17,18)19/h2-3,5,7,11H,4,6,8-9H2,1H3
InChIKeyAXBVYGCYUSXHBR-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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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 71793038) is (2-methylphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCCC(c2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of (2-methylphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is AXBVYGCYUSXHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-10-5-2-3-7-12(10)14(23)22-8-4-6-11(9-22)13-20-21-15(24-13)16(17,18)19/h2-3,5,7,11H,4,6,8-9H2,1H3.
What are the key properties of (2-methylphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(2-methylphenyl)-[3-[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)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71793038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).