N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C20H27N3O3 — CID 46586192

IUPACN-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NC3CCCCCC3)n2)cc1
InChIInChI=1S/C20H27N3O3/c1-2-25-17-11-9-15(10-12-17)20-22-19(26-23-20)14-13-18(24)21-16-7-5-3-4-6-8-16/h9-12,16H,2-8,13-14H2,1H3,(H,21,24)
InChIKeyGWEGPRZKQMPFJM-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.91
Rot. Bonds7

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

N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 46586192) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID46586192
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NC3CCCCCC3)n2)cc1
InChIInChI=1S/C20H27N3O3/c1-2-25-17-11-9-15(10-12-17)20-22-19(26-23-20)14-13-18(24)21-16-7-5-3-4-6-8-16/h9-12,16H,2-8,13-14H2,1H3,(H,21,24)
InChIKeyGWEGPRZKQMPFJM-UHFFFAOYSA-N
XLogP3.91
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide
CID 119425088
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46476811
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
CID 37133491
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 136512289
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide
CID 39896911
N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18106193
N-cyclohexyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089346
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 37266459
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpropanamide
CID 46586148
N-cyclopentyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9078298

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 46586192) is N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCOc1ccc(-c2noc(CCC(=O)NC3CCCCCC3)n2)cc1.
What is the InChIKey of N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is GWEGPRZKQMPFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-25-17-11-9-15(10-12-17)20-22-19(26-23-20)14-13-18(24)21-16-7-5-3-4-6-8-16/h9-12,16H,2-8,13-14H2,1H3,(H,21,24).
What are the key properties of N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 357.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 46586192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).