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

C17H23N3O3S — CID 98065511

IUPAC2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
SMILESCOCC(=O)NCC1CCC(c2nnc(-c3ccc(C)s3)o2)CC1
InChIInChI=1S/C17H23N3O3S/c1-11-3-8-14(24-11)17-20-19-16(23-17)13-6-4-12(5-7-13)9-18-15(21)10-22-2/h3,8,12-13H,4-7,9-10H2,1-2H3,(H,18,21)
InChIKeyLJJJHYGQDLDERK-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.14
Rot. Bonds6

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

2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide (PubChem CID 98065511) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
PubChem CID98065511
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
SMILESCOCC(=O)NCC1CCC(c2nnc(-c3ccc(C)s3)o2)CC1
InChIInChI=1S/C17H23N3O3S/c1-11-3-8-14(24-11)17-20-19-16(23-17)13-6-4-12(5-7-13)9-18-15(21)10-22-2/h3,8,12-13H,4-7,9-10H2,1-2H3,(H,18,21)
InChIKeyLJJJHYGQDLDERK-UHFFFAOYSA-N
XLogP3.14
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide 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

2-methoxy-N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065189
2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 98065252
2-(2-propan-2-ylphenoxy)-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065462
2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 165399699
2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92559574
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]propanamide
CID 98065499
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methoxyacetamide
CID 64591903
2-(2,4-difluorophenoxy)-N-[[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 98065544
2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065363
4-methyl-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]benzamide
CID 98065364
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065275
2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065267

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide (CID 98065511) is 2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide is COCC(=O)NCC1CCC(c2nnc(-c3ccc(C)s3)o2)CC1.
What is the InChIKey of 2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?
The InChIKey is LJJJHYGQDLDERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11-3-8-14(24-11)17-20-19-16(23-17)13-6-4-12(5-7-13)9-18-15(21)10-22-2/h3,8,12-13H,4-7,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?
2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98065511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).