5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide

C24H23N3O5S — CID 53119582

IUPAC5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(-c3noc(-c4ccc(C)cc4)n3)s2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O5S/c1-14-5-7-16(8-6-14)24-26-22(27-32-24)19-9-10-20(33-19)23(28)25-13-15-11-17(29-2)21(31-4)18(12-15)30-3/h5-12H,13H2,1-4H3,(H,25,28)
InChIKeyQMQUWGYYCSSYAP-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.73
Rot. Bonds8

About 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide

5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 53119582) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID53119582
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(-c3noc(-c4ccc(C)cc4)n3)s2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O5S/c1-14-5-7-16(8-6-14)24-26-22(27-32-24)19-9-10-20(33-19)23(28)25-13-15-11-17(29-2)21(31-4)18(12-15)30-3/h5-12H,13H2,1-4H3,(H,25,28)
InChIKeyQMQUWGYYCSSYAP-UHFFFAOYSA-N
XLogP4.73
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methylsulfanylphenyl)methyl]thiophene-2-carboxamide
CID 53119527
N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 46388416
N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
CID 53119566
N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119626
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 53013333
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 38142690
3-(4-methylphenyl)-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083479
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate
CID 14871953
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26445074
N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
CID 95089083
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide (CID 53119582) is 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide is COc1cc(CNC(=O)c2ccc(-c3noc(-c4ccc(C)cc4)n3)s2)cc(OC)c1OC.
What is the InChIKey of 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is QMQUWGYYCSSYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-14-5-7-16(8-6-14)24-26-22(27-32-24)19-9-10-20(33-19)23(28)25-13-15-11-17(29-2)21(31-4)18(12-15)30-3/h5-12H,13H2,1-4H3,(H,25,28).
What are the key properties of 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide?
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53119582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).