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

C16H19F3N6O — CID 91840022

IUPAC2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cc(C(F)(F)F)nc(N2CCN(Cc3nnc(C4CC4)o3)CC2)n1
InChIInChI=1S/C16H19F3N6O/c1-10-8-12(16(17,18)19)21-15(20-10)25-6-4-24(5-7-25)9-13-22-23-14(26-13)11-2-3-11/h8,11H,2-7,9H2,1H3
InChIKeyOCFCYNFYNYMVGV-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.39
Rot. Bonds4

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

2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 91840022) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID91840022
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cc(C(F)(F)F)nc(N2CCN(Cc3nnc(C4CC4)o3)CC2)n1
InChIInChI=1S/C16H19F3N6O/c1-10-8-12(16(17,18)19)21-15(20-10)25-6-4-24(5-7-25)9-13-22-23-14(26-13)11-2-3-11/h8,11H,2-7,9H2,1H3
InChIKeyOCFCYNFYNYMVGV-UHFFFAOYSA-N
XLogP2.39
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 91840022) is 2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is Cc1cc(C(F)(F)F)nc(N2CCN(Cc3nnc(C4CC4)o3)CC2)n1.
What is the InChIKey of 2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is OCFCYNFYNYMVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-10-8-12(16(17,18)19)21-15(20-10)25-6-4-24(5-7-25)9-13-22-23-14(26-13)11-2-3-11/h8,11H,2-7,9H2,1H3.
What are the key properties of 2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 368.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 91840022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).