3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C14H11N3O3S — CID 3532590

IUPAC3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C14H11N3O3S/c1-19-10-5-2-4-9(8-10)12(18)15-14-17-16-13(20-14)11-6-3-7-21-11/h2-8H,1H3,(H,15,17,18)
InChIKeyIGDDCFDXRSZXCN-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.06
Rot. Bonds4

About 3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 3532590) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID3532590
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C14H11N3O3S/c1-19-10-5-2-4-9(8-10)12(18)15-14-17-16-13(20-14)11-6-3-7-21-11/h2-8H,1H3,(H,15,17,18)
InChIKeyIGDDCFDXRSZXCN-UHFFFAOYSA-N
XLogP3.06
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 3532590) is 3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1.
What is the InChIKey of 3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is IGDDCFDXRSZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-19-10-5-2-4-9(8-10)12(18)15-14-17-16-13(20-14)11-6-3-7-21-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of 3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 301.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 3532590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).