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

C19H21N3O2S2 — CID 24502026

IUPAC3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCCSCc3ccsc3)n2)cc1
InChIInChI=1S/C19H21N3O2S2/c1-14-2-4-16(5-3-14)19-21-18(24-22-19)7-6-17(23)20-9-11-26-13-15-8-10-25-12-15/h2-5,8,10,12H,6-7,9,11,13H2,1H3,(H,20,23)
InChIKeyUCASYZCVZSGOSN-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.09
Rot. Bonds9

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

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide (PubChem CID 24502026) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide
PubChem CID24502026
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCCSCc3ccsc3)n2)cc1
InChIInChI=1S/C19H21N3O2S2/c1-14-2-4-16(5-3-14)19-21-18(24-22-19)7-6-17(23)20-9-11-26-13-15-8-10-25-12-15/h2-5,8,10,12H,6-7,9,11,13H2,1H3,(H,20,23)
InChIKeyUCASYZCVZSGOSN-UHFFFAOYSA-N
XLogP4.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzylsulfanylethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18116057
N-[2-[di(propan-2-yl)amino]ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18160853
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27884049
N-[2-(4-fluorophenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9080782
N-(3-aminobutyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119496253
N-(2,5-dimethylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17450335
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 71922796
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 100759222
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18117971
N-[2-(2,4-dimethylphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 48670939
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46697653

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide (CID 24502026) is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide is Cc1ccc(-c2noc(CCC(=O)NCCSCc3ccsc3)n2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide?
The InChIKey is UCASYZCVZSGOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-14-2-4-16(5-3-14)19-21-18(24-22-19)7-6-17(23)20-9-11-26-13-15-8-10-25-12-15/h2-5,8,10,12H,6-7,9,11,13H2,1H3,(H,20,23).
What are the key properties of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide?
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide has a molecular weight of 387.53 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 24502026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).