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

C17H15N3O3S — CID 7266919

IUPACN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCOc1ccccc1-c1nnc(NC(=O)c2cccc(SC)c2)o1
InChIInChI=1S/C17H15N3O3S/c1-22-14-9-4-3-8-13(14)16-19-20-17(23-16)18-15(21)11-6-5-7-12(10-11)24-2/h3-10H,1-2H3,(H,18,20,21)
InChIKeyXNWWDQGSYYOPBQ-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.72
Rot. Bonds5

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

N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide (PubChem CID 7266919) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
PubChem CID7266919
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCOc1ccccc1-c1nnc(NC(=O)c2cccc(SC)c2)o1
InChIInChI=1S/C17H15N3O3S/c1-22-14-9-4-3-8-13(14)16-19-20-17(23-16)18-15(21)11-6-5-7-12(10-11)24-2/h3-10H,1-2H3,(H,18,20,21)
InChIKeyXNWWDQGSYYOPBQ-UHFFFAOYSA-N
XLogP3.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide (CID 7266919) is N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide is COc1ccccc1-c1nnc(NC(=O)c2cccc(SC)c2)o1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The InChIKey is XNWWDQGSYYOPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-14-9-4-3-8-13(14)16-19-20-17(23-16)18-15(21)11-6-5-7-12(10-11)24-2/h3-10H,1-2H3,(H,18,20,21).
What are the key properties of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide has a molecular weight of 341.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide is sourced from PubChem (CID 7266919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).