3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide

C18H29N3O2 — CID 43045493

IUPAC3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
SMILESCc1nc(C2(NC(=O)CCC3CCCCC3)CCCCC2)no1
InChIInChI=1S/C18H29N3O2/c1-14-19-17(21-23-14)18(12-6-3-7-13-18)20-16(22)11-10-15-8-4-2-5-9-15/h15H,2-13H2,1H3,(H,20,22)
InChIKeyVRULMUCZSNEMKD-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.01
Rot. Bonds5

About 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide

3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide (PubChem CID 43045493) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
PubChem CID43045493
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
SMILESCc1nc(C2(NC(=O)CCC3CCCCC3)CCCCC2)no1
InChIInChI=1S/C18H29N3O2/c1-14-19-17(21-23-14)18(12-6-3-7-13-18)20-16(22)11-10-15-8-4-2-5-9-15/h15H,2-13H2,1H3,(H,20,22)
InChIKeyVRULMUCZSNEMKD-UHFFFAOYSA-N
XLogP4.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide (CID 43045493) is 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide is Cc1nc(C2(NC(=O)CCC3CCCCC3)CCCCC2)no1.
What is the InChIKey of 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
The InChIKey is VRULMUCZSNEMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-19-17(21-23-14)18(12-6-3-7-13-18)20-16(22)11-10-15-8-4-2-5-9-15/h15H,2-13H2,1H3,(H,20,22).
What are the key properties of 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide is sourced from PubChem (CID 43045493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).