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

C15H13N3O3S — CID 42110016

IUPAC2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
InChIInChI=1S/C15H13N3O3S/c1-20-12-7-3-2-6-11(12)14(19)16-15-18-17-13(21-15)9-10-5-4-8-22-10/h2-8H,9H2,1H3,(H,16,18,19)
InChIKeyXKXYSTWWCSGKMJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.98
Rot. Bonds5

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

2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 42110016) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID42110016
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1
InChIInChI=1S/C15H13N3O3S/c1-20-12-7-3-2-6-11(12)14(19)16-15-18-17-13(21-15)9-10-5-4-8-22-10/h2-8H,9H2,1H3,(H,16,18,19)
InChIKeyXKXYSTWWCSGKMJ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 42110016) is 2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccccc1C(=O)Nc1nnc(Cc2cccs2)o1.
What is the InChIKey of 2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is XKXYSTWWCSGKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-20-12-7-3-2-6-11(12)14(19)16-15-18-17-13(21-15)9-10-5-4-8-22-10/h2-8H,9H2,1H3,(H,16,18,19).
What are the key properties of 2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
2-methoxy-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 315.35 g/mol, XLogP of 2.98, 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-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 42110016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).