10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one

C23H33N3O2 — CID 142173363

IUPAC10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one
SMILESCCCCC(=O)CC(CCCC1CCCCC1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C23H33N3O2/c1-2-3-14-20(27)17-19(13-9-12-18-10-5-4-6-11-18)23-25-22(26-28-23)21-15-7-8-16-24-21/h7-8,15-16,18-19H,2-6,9-14,17H2,1H3
InChIKeyPXPJEZNCJPKSBI-UHFFFAOYSA-N
MW383.54 g/mol
LogP6.12
Rot. Bonds11

About 10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one

10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one (PubChem CID 142173363) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one.

Molecular Properties

Compound Name10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one
PubChem CID142173363
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one
SMILESCCCCC(=O)CC(CCCC1CCCCC1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C23H33N3O2/c1-2-3-14-20(27)17-19(13-9-12-18-10-5-4-6-11-18)23-25-22(26-28-23)21-15-7-8-16-24-21/h7-8,15-16,18-19H,2-6,9-14,17H2,1H3
InChIKeyPXPJEZNCJPKSBI-UHFFFAOYSA-N
XLogP6.12
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one?
The IUPAC name of 10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one (CID 142173363) is 10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one.
What is the SMILES notation for 10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one?
The canonical SMILES for 10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one is CCCCC(=O)CC(CCCC1CCCCC1)c1nc(-c2ccccn2)no1.
What is the InChIKey of 10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one?
The InChIKey is PXPJEZNCJPKSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-2-3-14-20(27)17-19(13-9-12-18-10-5-4-6-11-18)23-25-22(26-28-23)21-15-7-8-16-24-21/h7-8,15-16,18-19H,2-6,9-14,17H2,1H3.
What are the key properties of 10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one?
10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one has a molecular weight of 383.54 g/mol, XLogP of 6.12, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one is sourced from PubChem (CID 142173363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).