cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C19H25N3O3 — CID 647826

IUPACcyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2noc(C3CCCN(C(=O)C4CCCCC4)C3)n2)o1
InChIInChI=1S/C19H25N3O3/c1-13-9-10-16(24-13)17-20-18(25-21-17)15-8-5-11-22(12-15)19(23)14-6-3-2-4-7-14/h9-10,14-15H,2-8,11-12H2,1H3
InChIKeyKTVWIEQRGXHTMO-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.92
Rot. Bonds3

About cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 647826) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID647826
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namecyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2noc(C3CCCN(C(=O)C4CCCCC4)C3)n2)o1
InChIInChI=1S/C19H25N3O3/c1-13-9-10-16(24-13)17-20-18(25-21-17)15-8-5-11-22(12-15)19(23)14-6-3-2-4-7-14/h9-10,14-15H,2-8,11-12H2,1H3
InChIKeyKTVWIEQRGXHTMO-UHFFFAOYSA-N
XLogP3.92
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 647826) is cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1ccc(-c2noc(C3CCCN(C(=O)C4CCCCC4)C3)n2)o1.
What is the InChIKey of cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is KTVWIEQRGXHTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-9-10-16(24-13)17-20-18(25-21-17)15-8-5-11-22(12-15)19(23)14-6-3-2-4-7-14/h9-10,14-15H,2-8,11-12H2,1H3.
What are the key properties of cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 647826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).