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

C15H13N3O3S — CID 162506181

IUPAC2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H13N3O3S/c1-2-20-11-7-4-3-6-10(11)13(19)16-15-18-17-14(21-15)12-8-5-9-22-12/h3-9H,2H2,1H3,(H,16,18,19)
InChIKeyNIIZFUCDQIMXDQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.45
Rot. Bonds5

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

2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 162506181) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID162506181
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H13N3O3S/c1-2-20-11-7-4-3-6-10(11)13(19)16-15-18-17-14(21-15)12-8-5-9-22-12/h3-9H,2H2,1H3,(H,16,18,19)
InChIKeyNIIZFUCDQIMXDQ-UHFFFAOYSA-N
XLogP3.45
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 162506181) is 2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CCOc1ccccc1C(=O)Nc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is NIIZFUCDQIMXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-2-20-11-7-4-3-6-10(11)13(19)16-15-18-17-14(21-15)12-8-5-9-22-12/h3-9H,2H2,1H3,(H,16,18,19).
What are the key properties of 2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 315.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 162506181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).