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

C16H17ClF3N5O — CID 47520892

IUPAC2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cnc(N2CCN(Cc3nnc(C4CC4)o3)CC2)c(Cl)c1
InChIInChI=1S/C16H17ClF3N5O/c17-12-7-11(16(18,19)20)8-21-14(12)25-5-3-24(4-6-25)9-13-22-23-15(26-13)10-1-2-10/h7-8,10H,1-6,9H2
InChIKeyDIUWECCGFXQFMA-UHFFFAOYSA-N
MW387.79 g/mol
LogP3.34
Rot. Bonds4

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

2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole (PubChem CID 47520892) has the molecular formula C16H17ClF3N5O and a molecular weight of 387.79 g/mol. Its IUPAC name is 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
PubChem CID47520892
Molecular FormulaC16H17ClF3N5O
Molecular Weight387.79 g/mol
Exact Mass387.11
IUPAC Name2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cnc(N2CCN(Cc3nnc(C4CC4)o3)CC2)c(Cl)c1
InChIInChI=1S/C16H17ClF3N5O/c17-12-7-11(16(18,19)20)8-21-14(12)25-5-3-24(4-6-25)9-13-22-23-15(26-13)10-1-2-10/h7-8,10H,1-6,9H2
InChIKeyDIUWECCGFXQFMA-UHFFFAOYSA-N
XLogP3.34
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 27207667
3-tert-butyl-5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55559992
2-cyclopropyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520575
4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzonitrile
CID 8908387
5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 26044680
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 120847374
2-[4-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80669474
5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 166601215
N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890934
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163343876
2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 47704652

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole (CID 47520892) is 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole is FC(F)(F)c1cnc(N2CCN(Cc3nnc(C4CC4)o3)CC2)c(Cl)c1.
What is the InChIKey of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole?
The InChIKey is DIUWECCGFXQFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N5O/c17-12-7-11(16(18,19)20)8-21-14(12)25-5-3-24(4-6-25)9-13-22-23-15(26-13)10-1-2-10/h7-8,10H,1-6,9H2.
What are the key properties of 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole?
2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole has a molecular weight of 387.79 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole is sourced from PubChem (CID 47520892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).