3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

C19H22N4O4S — CID 33263722

IUPAC3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCCc3csc(C)n3)n2)cc1OC
InChIInChI=1S/C19H22N4O4S/c1-12-21-14(11-28-12)8-9-20-17(24)6-7-18-22-19(23-27-18)13-4-5-15(25-2)16(10-13)26-3/h4-5,10-11H,6-9H2,1-3H3,(H,20,24)
InChIKeyQSFBKPPMOUXZAQ-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.81
Rot. Bonds9

About 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 33263722) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID33263722
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCCc3csc(C)n3)n2)cc1OC
InChIInChI=1S/C19H22N4O4S/c1-12-21-14(11-28-12)8-9-20-17(24)6-7-18-22-19(23-27-18)13-4-5-15(25-2)16(10-13)26-3/h4-5,10-11H,6-9H2,1-3H3,(H,20,24)
InChIKeyQSFBKPPMOUXZAQ-UHFFFAOYSA-N
XLogP2.81
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pentylpropanamide
CID 18108283
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CID 9270126
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9270064
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide
CID 2031380
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
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3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N',N'-dimethylpropanehydrazide
CID 9092622
N-(2-benzylsulfanylethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18116057
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 100761177
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760289
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 26688189
N-[(3,4-dimethoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17442023
N-(3-chloro-4-methylphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26688026

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (CID 33263722) is 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is COc1ccc(-c2noc(CCC(=O)NCCc3csc(C)n3)n2)cc1OC.
What is the InChIKey of 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is QSFBKPPMOUXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-12-21-14(11-28-12)8-9-20-17(24)6-7-18-22-19(23-27-18)13-4-5-15(25-2)16(10-13)26-3/h4-5,10-11H,6-9H2,1-3H3,(H,20,24).
What are the key properties of 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 402.48 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 33263722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).