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

C25H23N3O2S — CID 26019047

IUPACN-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc1
InChIInChI=1S/C25H23N3O2S/c1-17-6-4-5-7-22(17)24-27-26-23(30-24)19-10-12-20(13-11-19)25(29)28(2)16-18-8-14-21(31-3)15-9-18/h4-15H,16H2,1-3H3
InChIKeyMWMOHKINXBEHTK-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.71
Rot. Bonds6

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

N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 26019047) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID26019047
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc1
InChIInChI=1S/C25H23N3O2S/c1-17-6-4-5-7-22(17)24-27-26-23(30-24)19-10-12-20(13-11-19)25(29)28(2)16-18-8-14-21(31-3)15-9-18/h4-15H,16H2,1-3H3
InChIKeyMWMOHKINXBEHTK-UHFFFAOYSA-N
XLogP5.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide with MolForge

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25360515
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methylsulfanylphenyl)benzamide
CID 24608389
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide
CID 26619242
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386
cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 75402652
N-[(4-chlorophenyl)methyl]-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7683188
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9345806
N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605
N-(1-methoxypropan-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18289547
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide
CID 39969648

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 26019047) is N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc1.
What is the InChIKey of N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is MWMOHKINXBEHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-17-6-4-5-7-22(17)24-27-26-23(30-24)19-10-12-20(13-11-19)25(29)28(2)16-18-8-14-21(31-3)15-9-18/h4-15H,16H2,1-3H3.
What are the key properties of N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 429.55 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 26019047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).