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

C18H17N3O2S — CID 43976786

IUPACN-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)o2)c1
InChIInChI=1S/C18H17N3O2S/c1-11-7-12(2)9-14(8-11)17-20-21-18(23-17)19-16(22)13-5-4-6-15(10-13)24-3/h4-10H,1-3H3,(H,19,21,22)
InChIKeyISNGIYXUFWNTDM-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.33
Rot. Bonds4

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

N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide (PubChem CID 43976786) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
PubChem CID43976786
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)o2)c1
InChIInChI=1S/C18H17N3O2S/c1-11-7-12(2)9-14(8-11)17-20-21-18(23-17)19-16(22)13-5-4-6-15(10-13)24-3/h4-10H,1-3H3,(H,19,21,22)
InChIKeyISNGIYXUFWNTDM-UHFFFAOYSA-N
XLogP4.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 7266914
3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577972
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577981
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 43976692
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
CID 43976718
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43976885
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41147051
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 44921813
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146905

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The IUPAC name of N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide (CID 43976786) is N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The canonical SMILES for N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide is CSc1cccc(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)o2)c1.
What is the InChIKey of N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The InChIKey is ISNGIYXUFWNTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-7-12(2)9-14(8-11)17-20-21-18(23-17)19-16(22)13-5-4-6-15(10-13)24-3/h4-10H,1-3H3,(H,19,21,22).
What are the key properties of N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide has a molecular weight of 339.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide is sourced from PubChem (CID 43976786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).