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

C17H21F3N6O — CID 154828962

IUPAC2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCCc1cc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nc(C2CC2)n1
InChIInChI=1S/C17H21F3N6O/c1-2-12-9-13(22-15(21-12)11-3-4-11)26-7-5-25(6-8-26)10-14-23-24-16(27-14)17(18,19)20/h9,11H,2-8,10H2,1H3
InChIKeyHPVQJERTWLTLPN-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.64
Rot. Bonds5

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

2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 154828962) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID154828962
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC Name2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCCc1cc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nc(C2CC2)n1
InChIInChI=1S/C17H21F3N6O/c1-2-12-9-13(22-15(21-12)11-3-4-11)26-7-5-25(6-8-26)10-14-23-24-16(27-14)17(18,19)20/h9,11H,2-8,10H2,1H3
InChIKeyHPVQJERTWLTLPN-UHFFFAOYSA-N
XLogP2.64
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 154828962) is 2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is CCc1cc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is HPVQJERTWLTLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c1-2-12-9-13(22-15(21-12)11-3-4-11)26-7-5-25(6-8-26)10-14-23-24-16(27-14)17(18,19)20/h9,11H,2-8,10H2,1H3.
What are the key properties of 2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 382.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 154828962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).