N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide

C17H15N3O2S — CID 16854802

IUPACN-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nnc(-c3cccc(C)c3)o2)c1
InChIInChI=1S/C17H15N3O2S/c1-11-5-3-7-13(9-11)16-19-20-17(22-16)18-15(21)12-6-4-8-14(10-12)23-2/h3-10H,1-2H3,(H,18,20,21)
InChIKeyPHMRJGCCXYZOPX-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.02
Rot. Bonds4

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

N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide (PubChem CID 16854802) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
PubChem CID16854802
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nnc(-c3cccc(C)c3)o2)c1
InChIInChI=1S/C17H15N3O2S/c1-11-5-3-7-13(9-11)16-19-20-17(22-16)18-15(21)12-6-4-8-14(10-12)23-2/h3-10H,1-2H3,(H,18,20,21)
InChIKeyPHMRJGCCXYZOPX-UHFFFAOYSA-N
XLogP4.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 43976786
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577972
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 7266914
3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441
3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577981
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16854742
3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686300
5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16854864
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704
2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854752

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The IUPAC name of N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide (CID 16854802) is N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The canonical SMILES for N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide is CSc1cccc(C(=O)Nc2nnc(-c3cccc(C)c3)o2)c1.
What is the InChIKey of N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The InChIKey is PHMRJGCCXYZOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-5-3-7-13(9-11)16-19-20-17(22-16)18-15(21)12-6-4-8-14(10-12)23-2/h3-10H,1-2H3,(H,18,20,21).
What are the key properties of N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide has a molecular weight of 325.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide is sourced from PubChem (CID 16854802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).