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

C19H31N3O2 — CID 139001034

IUPAC3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide
SMILESCc1nc(C2(NC(=O)CC(C)C3CCCCC3)CCCCC2)no1
InChIInChI=1S/C19H31N3O2/c1-14(16-9-5-3-6-10-16)13-17(23)21-19(11-7-4-8-12-19)18-20-15(2)24-22-18/h14,16H,3-13H2,1-2H3,(H,21,23)
InChIKeyLXBHQSHZALTCOU-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.26
Rot. Bonds5

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

3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide (PubChem CID 139001034) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide
PubChem CID139001034
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide
SMILESCc1nc(C2(NC(=O)CC(C)C3CCCCC3)CCCCC2)no1
InChIInChI=1S/C19H31N3O2/c1-14(16-9-5-3-6-10-16)13-17(23)21-19(11-7-4-8-12-19)18-20-15(2)24-22-18/h14,16H,3-13H2,1-2H3,(H,21,23)
InChIKeyLXBHQSHZALTCOU-UHFFFAOYSA-N
XLogP4.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide?
The IUPAC name of 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide (CID 139001034) is 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide.
What is the SMILES notation for 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide?
The canonical SMILES for 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide is Cc1nc(C2(NC(=O)CC(C)C3CCCCC3)CCCCC2)no1.
What is the InChIKey of 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide?
The InChIKey is LXBHQSHZALTCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(16-9-5-3-6-10-16)13-17(23)21-19(11-7-4-8-12-19)18-20-15(2)24-22-18/h14,16H,3-13H2,1-2H3,(H,21,23).
What are the key properties of 3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide?
3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide has a molecular weight of 333.48 g/mol, XLogP of 4.26, 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]butanamide is sourced from PubChem (CID 139001034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).