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

C15H13N3O3S — CID 110322292

IUPAC2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H13N3O3S/c1-20-11-6-3-2-5-10(11)14(19)16-9-13-17-18-15(21-13)12-7-4-8-22-12/h2-8H,9H2,1H3,(H,16,19)
InChIKeyXUSRONCQZAYECA-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.74
Rot. Bonds5

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

2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 110322292) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID110322292
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H13N3O3S/c1-20-11-6-3-2-5-10(11)14(19)16-9-13-17-18-15(21-13)12-7-4-8-22-12/h2-8H,9H2,1H3,(H,16,19)
InChIKeyXUSRONCQZAYECA-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 110322292) is 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is COc1ccccc1C(=O)NCc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is XUSRONCQZAYECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-20-11-6-3-2-5-10(11)14(19)16-9-13-17-18-15(21-13)12-7-4-8-22-12/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 315.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110322292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).