3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide

C26H26N4O5S — CID 88531908

IUPAC3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide
SMILESCc1csc(NC(=O)c2cc(OCC3CCOCC3)cc(Oc3ccc(-c4nnc(C)o4)cc3)c2)n1
InChIInChI=1S/C26H26N4O5S/c1-16-15-36-26(27-16)28-24(31)20-11-22(33-14-18-7-9-32-10-8-18)13-23(12-20)35-21-5-3-19(4-6-21)25-30-29-17(2)34-25/h3-6,11-13,15,18H,7-10,14H2,1-2H3,(H,27,28,31)
InChIKeyOTCLWPOWUKZLMP-UHFFFAOYSA-N
MW506.58 g/mol
LogP5.66
Rot. Bonds8

About 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide

3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide (PubChem CID 88531908) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide
PubChem CID88531908
Molecular FormulaC26H26N4O5S
Molecular Weight506.58 g/mol
Exact Mass506.16
IUPAC Name3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide
SMILESCc1csc(NC(=O)c2cc(OCC3CCOCC3)cc(Oc3ccc(-c4nnc(C)o4)cc3)c2)n1
InChIInChI=1S/C26H26N4O5S/c1-16-15-36-26(27-16)28-24(31)20-11-22(33-14-18-7-9-32-10-8-18)13-23(12-20)35-21-5-3-19(4-6-21)25-30-29-17(2)34-25/h3-6,11-13,15,18H,7-10,14H2,1-2H3,(H,27,28,31)
InChIKeyOTCLWPOWUKZLMP-UHFFFAOYSA-N
XLogP5.66
TPSA108.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.58
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)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 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide?
The IUPAC name of 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide (CID 88531908) is 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide?
The canonical SMILES for 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide is Cc1csc(NC(=O)c2cc(OCC3CCOCC3)cc(Oc3ccc(-c4nnc(C)o4)cc3)c2)n1.
What is the InChIKey of 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide?
The InChIKey is OTCLWPOWUKZLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-16-15-36-26(27-16)28-24(31)20-11-22(33-14-18-7-9-32-10-8-18)13-23(12-20)35-21-5-3-19(4-6-21)25-30-29-17(2)34-25/h3-6,11-13,15,18H,7-10,14H2,1-2H3,(H,27,28,31).
What are the key properties of 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide?
3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide has a molecular weight of 506.58 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide is sourced from PubChem (CID 88531908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).