N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H25N3O2S — CID 134044538

IUPACN-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)CCCC(C)NC(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C17H25N3O2S/c1-12(2)5-4-6-13(3)18-15(21)7-8-16-19-17(20-22-16)14-9-10-23-11-14/h9-13H,4-8H2,1-3H3,(H,18,21)
InChIKeyFLUWVLSIAWFENX-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.06
Rot. Bonds9

About N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 134044538) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID134044538
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)CCCC(C)NC(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C17H25N3O2S/c1-12(2)5-4-6-13(3)18-15(21)7-8-16-19-17(20-22-16)14-9-10-23-11-14/h9-13H,4-8H2,1-3H3,(H,18,21)
InChIKeyFLUWVLSIAWFENX-UHFFFAOYSA-N
XLogP4.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methylheptan-2-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 43015765
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-6-methylheptan-2-yl]propanamide
CID 25494124
N-(3-aminobutyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119496253
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43013763
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55782988
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24549306
N-(4-acetyl-1,3-thiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17442927
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylhexan-2-yl)propanamide
CID 18134897
N-[cyclopropyl-(4-methylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24582544
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119598322
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 18092722
N-(2-methylsulfanylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17465065

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 134044538) is N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)CCCC(C)NC(=O)CCc1nc(-c2ccsc2)no1.
What is the InChIKey of N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is FLUWVLSIAWFENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12(2)5-4-6-13(3)18-15(21)7-8-16-19-17(20-22-16)14-9-10-23-11-14/h9-13H,4-8H2,1-3H3,(H,18,21).
What are the key properties of N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 335.47 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 134044538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).