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

C21H17N3O2S — CID 134030447

IUPAC4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)NCc4cccs4)cc3)o2)cc1
InChIInChI=1S/C21H17N3O2S/c1-14-4-6-16(7-5-14)20-23-24-21(26-20)17-10-8-15(9-11-17)19(25)22-13-18-3-2-12-27-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyNWYGDIXPKAXQJT-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.70
Rot. Bonds5

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

4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 134030447) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID134030447
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)NCc4cccs4)cc3)o2)cc1
InChIInChI=1S/C21H17N3O2S/c1-14-4-6-16(7-5-14)20-23-24-21(26-20)17-10-8-15(9-11-17)19(25)22-13-18-3-2-12-27-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyNWYGDIXPKAXQJT-UHFFFAOYSA-N
XLogP4.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 57303116
4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319544
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
CID 24608415
4-formamido-N-(thiophen-2-ylmethyl)benzamide
CID 168653022
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55753809
N-(1,3-benzodioxol-5-ylmethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 9327338
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53109956
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide
CID 17495617
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55561183
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 22588071

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide (CID 134030447) is 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide is Cc1ccc(-c2nnc(-c3ccc(C(=O)NCc4cccs4)cc3)o2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is NWYGDIXPKAXQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-14-4-6-16(7-5-14)20-23-24-21(26-20)17-10-8-15(9-11-17)19(25)22-13-18-3-2-12-27-18/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide?
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 134030447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).