4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide

C16H15N3O2S — CID 32991282

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1noc(-c2ccc(C(=O)NCc3sccc3C)cc2)n1
InChIInChI=1S/C16H15N3O2S/c1-10-7-8-22-14(10)9-17-15(20)12-3-5-13(6-4-12)16-18-11(2)19-21-16/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyBZMPYEIETISXRN-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.34
Rot. Bonds4

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 32991282) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID32991282
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1noc(-c2ccc(C(=O)NCc3sccc3C)cc2)n1
InChIInChI=1S/C16H15N3O2S/c1-10-7-8-22-14(10)9-17-15(20)12-3-5-13(6-4-12)16-18-11(2)19-21-16/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyBZMPYEIETISXRN-UHFFFAOYSA-N
XLogP3.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 50828790
N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 33172541
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 47163642
N-(2-ethyl-2-hydroxybutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 111463535
4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 32991351
4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907094
4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861046
N-[2-(N-methylanilino)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 24665771
N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 32987584
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 134001912
N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43742121

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 32991282) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1noc(-c2ccc(C(=O)NCc3sccc3C)cc2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is BZMPYEIETISXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-7-8-22-14(10)9-17-15(20)12-3-5-13(6-4-12)16-18-11(2)19-21-16/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 313.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 32991282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).