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

C21H17N3O4S — CID 162506127

IUPAC2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOc1cc(OCc2ccccc2)ccc1C(=O)Nc1nnc(-c2cccs2)o1
InChIInChI=1S/C21H17N3O4S/c1-26-17-12-15(27-13-14-6-3-2-4-7-14)9-10-16(17)19(25)22-21-24-23-20(28-21)18-8-5-11-29-18/h2-12H,13H2,1H3,(H,22,24,25)
InChIKeyCEJKJKVICOZYAX-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.64
Rot. Bonds7

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

2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 162506127) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID162506127
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOc1cc(OCc2ccccc2)ccc1C(=O)Nc1nnc(-c2cccs2)o1
InChIInChI=1S/C21H17N3O4S/c1-26-17-12-15(27-13-14-6-3-2-4-7-14)9-10-16(17)19(25)22-21-24-23-20(28-21)18-8-5-11-29-18/h2-12H,13H2,1H3,(H,22,24,25)
InChIKeyCEJKJKVICOZYAX-UHFFFAOYSA-N
XLogP4.64
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-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-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 162506127) is 2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is COc1cc(OCc2ccccc2)ccc1C(=O)Nc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is CEJKJKVICOZYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-26-17-12-15(27-13-14-6-3-2-4-7-14)9-10-16(17)19(25)22-21-24-23-20(28-21)18-8-5-11-29-18/h2-12H,13H2,1H3,(H,22,24,25).
What are the key properties of 2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 407.45 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-phenylmethoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 162506127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).