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

C16H19ClF3N5O — CID 75463216

IUPAC2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C(C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1
InChIInChI=1S/C16H19ClF3N5O/c1-3-13-22-23-15(26-13)10(2)24-4-6-25(7-5-24)14-12(17)8-11(9-21-14)16(18,19)20/h8-10H,3-7H2,1-2H3
InChIKeyCIQHUBGCCZXGRB-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.58
Rot. Bonds4

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

2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 75463216) has the molecular formula C16H19ClF3N5O and a molecular weight of 389.81 g/mol. Its IUPAC name is 2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID75463216
Molecular FormulaC16H19ClF3N5O
Molecular Weight389.81 g/mol
Exact Mass389.12
IUPAC Name2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C(C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1
InChIInChI=1S/C16H19ClF3N5O/c1-3-13-22-23-15(26-13)10(2)24-4-6-25(7-5-24)14-12(17)8-11(9-21-14)16(18,19)20/h8-10H,3-7H2,1-2H3
InChIKeyCIQHUBGCCZXGRB-UHFFFAOYSA-N
XLogP3.58
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole (CID 75463216) is 2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(C(C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1.
What is the InChIKey of 2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is CIQHUBGCCZXGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N5O/c1-3-13-22-23-15(26-13)10(2)24-4-6-25(7-5-24)14-12(17)8-11(9-21-14)16(18,19)20/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole?
2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 389.81 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 75463216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).