N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide

C20H27N3O2 — CID 53181926

IUPACN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide
SMILESCCc1noc(C2(NC(=O)C(CC)c3ccccc3)CCCCC2)n1
InChIInChI=1S/C20H27N3O2/c1-3-16(15-11-7-5-8-12-15)18(24)22-20(13-9-6-10-14-20)19-21-17(4-2)23-25-19/h5,7-8,11-12,16H,3-4,6,9-10,13-14H2,1-2H3,(H,22,24)
InChIKeySQNRSNYIAXRMCG-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.10
Rot. Bonds6

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

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide (PubChem CID 53181926) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide
PubChem CID53181926
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide
SMILESCCc1noc(C2(NC(=O)C(CC)c3ccccc3)CCCCC2)n1
InChIInChI=1S/C20H27N3O2/c1-3-16(15-11-7-5-8-12-15)18(24)22-20(13-9-6-10-14-20)19-21-17(4-2)23-25-19/h5,7-8,11-12,16H,3-4,6,9-10,13-14H2,1-2H3,(H,22,24)
InChIKeySQNRSNYIAXRMCG-UHFFFAOYSA-N
XLogP4.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide 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 N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide?
The IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide (CID 53181926) is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide.
What is the SMILES notation for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide?
The canonical SMILES for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide is CCc1noc(C2(NC(=O)C(CC)c3ccccc3)CCCCC2)n1.
What is the InChIKey of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide?
The InChIKey is SQNRSNYIAXRMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-16(15-11-7-5-8-12-15)18(24)22-20(13-9-6-10-14-20)19-21-17(4-2)23-25-19/h5,7-8,11-12,16H,3-4,6,9-10,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide?
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide has a molecular weight of 341.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-phenylbutanamide is sourced from PubChem (CID 53181926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).