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

C17H15N3O5S — CID 7565715

IUPACN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cccc(S(C)(=O)=O)c3)o2)cc1
InChIInChI=1S/C17H15N3O5S/c1-24-13-8-6-11(7-9-13)16-19-20-17(25-16)18-15(21)12-4-3-5-14(10-12)26(2,22)23/h3-10H,1-2H3,(H,18,20,21)
InChIKeyQAJHVICUNYJQCX-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.40
Rot. Bonds5

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

N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide (PubChem CID 7565715) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
PubChem CID7565715
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cccc(S(C)(=O)=O)c3)o2)cc1
InChIInChI=1S/C17H15N3O5S/c1-24-13-8-6-11(7-9-13)16-19-20-17(25-16)18-15(21)12-4-3-5-14(10-12)26(2,22)23/h3-10H,1-2H3,(H,18,20,21)
InChIKeyQAJHVICUNYJQCX-UHFFFAOYSA-N
XLogP2.40
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7655762
4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977232
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7267152
3-butoxy-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578258
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(2,2,2-trichloroacetyl)amino]benzamide
CID 45010959
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043315
3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861367
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5240164
3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227747
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
2-(3-methoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977307

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide (CID 7565715) is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide is COc1ccc(-c2nnc(NC(=O)c3cccc(S(C)(=O)=O)c3)o2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide?
The InChIKey is QAJHVICUNYJQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-24-13-8-6-11(7-9-13)16-19-20-17(25-16)18-15(21)12-4-3-5-14(10-12)26(2,22)23/h3-10H,1-2H3,(H,18,20,21).
What are the key properties of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide?
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide has a molecular weight of 373.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 7565715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).