2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole

C23H32N4O4S — CID 123285120

IUPAC2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(OCCC2CC2C2CCN(c3nnc(C4CCCC4)o3)CC2)nc1
InChIInChI=1S/C23H32N4O4S/c1-32(28,29)19-6-7-21(24-15-19)30-13-10-18-14-20(18)16-8-11-27(12-9-16)23-26-25-22(31-23)17-4-2-3-5-17/h6-7,15-18,20H,2-5,8-14H2,1H3
InChIKeyXMACYVHQKNORGH-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.85
Rot. Bonds8

About 2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole

2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole (PubChem CID 123285120) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole
PubChem CID123285120
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC Name2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(OCCC2CC2C2CCN(c3nnc(C4CCCC4)o3)CC2)nc1
InChIInChI=1S/C23H32N4O4S/c1-32(28,29)19-6-7-21(24-15-19)30-13-10-18-14-20(18)16-8-11-27(12-9-16)23-26-25-22(31-23)17-4-2-3-5-17/h6-7,15-18,20H,2-5,8-14H2,1H3
InChIKeyXMACYVHQKNORGH-UHFFFAOYSA-N
XLogP3.85
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole (CID 123285120) is 2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole is CS(=O)(=O)c1ccc(OCCC2CC2C2CCN(c3nnc(C4CCCC4)o3)CC2)nc1.
What is the InChIKey of 2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole?
The InChIKey is XMACYVHQKNORGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-32(28,29)19-6-7-21(24-15-19)30-13-10-18-14-20(18)16-8-11-27(12-9-16)23-26-25-22(31-23)17-4-2-3-5-17/h6-7,15-18,20H,2-5,8-14H2,1H3.
What are the key properties of 2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole?
2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole has a molecular weight of 460.60 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[4-[2-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 123285120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).