2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole

C15H16F3N5O — CID 163343496

IUPAC2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(N2CCC(c3nnc(C4CC4)o3)CC2)ncn1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)11-7-12(20-8-19-11)23-5-3-10(4-6-23)14-22-21-13(24-14)9-1-2-9/h7-10H,1-6H2
InChIKeySVGNHDWQWQAPCD-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.14
Rot. Bonds3

About 2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole

2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 163343496) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID163343496
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(N2CCC(c3nnc(C4CC4)o3)CC2)ncn1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)11-7-12(20-8-19-11)23-5-3-10(4-6-23)14-22-21-13(24-14)9-1-2-9/h7-10H,1-6H2
InChIKeySVGNHDWQWQAPCD-UHFFFAOYSA-N
XLogP3.14
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole (CID 163343496) is 2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole is FC(F)(F)c1cc(N2CCC(c3nnc(C4CC4)o3)CC2)ncn1.
What is the InChIKey of 2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is SVGNHDWQWQAPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)11-7-12(20-8-19-11)23-5-3-10(4-6-23)14-22-21-13(24-14)9-1-2-9/h7-10H,1-6H2.
What are the key properties of 2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 339.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 163343496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).