N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide

C15H19N3O3S — CID 70067759

IUPACN-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide
SMILESCNC(=O)C(=O)CCCCCCc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H19N3O3S/c1-16-14(20)11(19)7-4-2-3-5-9-13-17-18-15(21-13)12-8-6-10-22-12/h6,8,10H,2-5,7,9H2,1H3,(H,16,20)
InChIKeySXGXPHXYTOWGAX-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.61
Rot. Bonds9

About N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide

N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide (PubChem CID 70067759) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide.

Molecular Properties

Compound NameN-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide
PubChem CID70067759
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide
SMILESCNC(=O)C(=O)CCCCCCc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H19N3O3S/c1-16-14(20)11(19)7-4-2-3-5-9-13-17-18-15(21-13)12-8-6-10-22-12/h6,8,10H,2-5,7,9H2,1H3,(H,16,20)
InChIKeySXGXPHXYTOWGAX-UHFFFAOYSA-N
XLogP2.61
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide 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-prop-2-enyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2540332
1-(5-(Thiophen-2-yl)-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one
CID 24950687
tert-butyl N-[(2S)-1-oxo-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate
CID 44412341
N-Methyl-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 859898
N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2592834
N-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2592849
3-[5-(5-acetyl-2-thienyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 42189260
2,2,2-Trifluoro-1-[5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone
CID 57620102
1-[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]ethanamine
CID 170733947
N-((5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)methyl)cyclohexanecarboxamide
CID 110322276
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9371927
2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 9371928

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide?
The IUPAC name of N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide (CID 70067759) is N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide.
What is the SMILES notation for N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide?
The canonical SMILES for N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide is CNC(=O)C(=O)CCCCCCc1nnc(-c2cccs2)o1.
What is the InChIKey of N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide?
The InChIKey is SXGXPHXYTOWGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-16-14(20)11(19)7-4-2-3-5-9-13-17-18-15(21-13)12-8-6-10-22-12/h6,8,10H,2-5,7,9H2,1H3,(H,16,20).
What are the key properties of N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide?
N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide has a molecular weight of 321.40 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-8-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)octanamide is sourced from PubChem (CID 70067759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).