2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C23H21N3O4S — CID 112821660

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 112821660) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 112821660
• Molecular Formula: C23H21N3O4S
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.13
• IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
• SMILES: COc1ccccc1-c1csc(NC(=O)c2ccccc2OCc2c(C)noc2C)n1
• InChI: InChI=1S/C23H21N3O4S/c1-14-18(15(2)30-26-14)12-29-21-11-7-5-9-17(21)22(27)25-23-24-19(13-31-23)16-8-4-6-10-20(16)28-3/h4-11,13H,12H2,1-3H3,(H,24,25,27)
• InChIKey: IAYDEJDJYWBUKB-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 112821660) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccccc1-c1csc(NC(=O)c2ccccc2OCc2c(C)noc2C)n1.

What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is IAYDEJDJYWBUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-14-18(15(2)30-26-14)12-29-21-11-7-5-9-17(21)22(27)25-23-24-19(13-31-23)16-8-4-6-10-20(16)28-3/h4-11,13H,12H2,1-3H3,(H,24,25,27).

What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 435.51 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 112821660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).