N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide

C18H19N3O2S — CID 53126098

IUPACN-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2noc(Cc3ccc(C)cc3)n2)s1
InChIInChI=1S/C18H19N3O2S/c1-3-16(22)19-11-14-8-9-15(24-14)18-20-17(23-21-18)10-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyYJDXABQWQWOZDG-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.72
Rot. Bonds6

About N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide

N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide (PubChem CID 53126098) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
PubChem CID53126098
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2noc(Cc3ccc(C)cc3)n2)s1
InChIInChI=1S/C18H19N3O2S/c1-3-16(22)19-11-14-8-9-15(24-14)18-20-17(23-21-18)10-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyYJDXABQWQWOZDG-UHFFFAOYSA-N
XLogP3.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
CID 1453697
5-(4-Propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 2742670
7-Phenyl-1-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)-heptan-1-one
CID 24951003
5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 150956546
5-[(4-Methylphenyl)methyl]-3-(thiophen-3-yl)-1,2,4-oxadiazole
CID 6539919
N-(4-ethylbenzyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionamide
CID 9550880
N-{4-[5-(2-Thienyl)-1,2,4-oxadiazol-3-yl]benzoyl}-leucyl-glycine-nitrile
CID 50994140
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 50994141
5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 155516327
N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 7437463
2-(4-Methylcyclohexyl)-1-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]ethanone
CID 52952613
5-[(3,5-Difluorophenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 2740948

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide (CID 53126098) is N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide is CCC(=O)NCc1ccc(-c2noc(Cc3ccc(C)cc3)n2)s1.
What is the InChIKey of N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
The InChIKey is YJDXABQWQWOZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-16(22)19-11-14-8-9-15(24-14)18-20-17(23-21-18)10-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide has a molecular weight of 341.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide is sourced from PubChem (CID 53126098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).