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

C17H17N3O3S — CID 86264860

IUPAC3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2sccc2-c2nc(C)no2)cc1
InChIInChI=1S/C17H17N3O3S/c1-11-18-16(23-20-11)14-9-10-24-17(14)19-15(21)8-5-12-3-6-13(22-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,21)
InChIKeyQKINBXPQLMEKRT-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.69
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide (PubChem CID 86264860) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide
PubChem CID86264860
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2sccc2-c2nc(C)no2)cc1
InChIInChI=1S/C17H17N3O3S/c1-11-18-16(23-20-11)14-9-10-24-17(14)19-15(21)8-5-12-3-6-13(22-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,21)
InChIKeyQKINBXPQLMEKRT-UHFFFAOYSA-N
XLogP3.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-{5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625323
3-[2-Methoxy-6-(4-methoxyphenyl)-3-pyridyl]-5-(2-thienyl)-1,2,4-oxadiazole
CID 664482
3-(2-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 1870209
2-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 2227784
5-[2-(4-Methoxyphenyl)ethyl]-3-(2-thienyl)-1,2,4-oxadiazole
CID 6458425
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 1291767
5-(4-Methoxybenzyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 4916156
6-Methoxy-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-ol
CID 939022
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-fluorophenoxy)acetamide
CID 76150370
3-(4-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 831567
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2814365
2-(4-methoxyphenyl)-N-(3-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl)acetamide
CID 46868929

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide (CID 86264860) is 3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide is COc1ccc(CCC(=O)Nc2sccc2-c2nc(C)no2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide?
The InChIKey is QKINBXPQLMEKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-18-16(23-20-11)14-9-10-24-17(14)19-15(21)8-5-12-3-6-13(22-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide?
3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide has a molecular weight of 343.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propanamide is sourced from PubChem (CID 86264860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).