N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C23H21FN4O4S — CID 60546512

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 60546512) has the molecular formula C23H21FN4O4S and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 60546512
• Molecular Formula: C23H21FN4O4S
• Molecular Weight: 468.51 g/mol
• Exact Mass: 468.13
• IUPAC Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: COc1ccc(OC)c(-c2csc(NC(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)n2)c1
• InChI: InChI=1S/C23H21FN4O4S/c1-13-10-14(4-6-17(13)24)22-27-21(32-28-22)9-8-20(29)26-23-25-18(12-33-23)16-11-15(30-2)5-7-19(16)31-3/h4-7,10-12H,8-9H2,1-3H3,(H,25,26,29)
• InChIKey: QUEMIANKGLYSQX-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 99.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.51
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 60546512) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(OC)c(-c2csc(NC(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)n2)c1.

What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is QUEMIANKGLYSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4S/c1-13-10-14(4-6-17(13)24)22-27-21(32-28-22)9-8-20(29)26-23-25-18(12-33-23)16-11-15(30-2)5-7-19(16)31-3/h4-7,10-12H,8-9H2,1-3H3,(H,25,26,29).

What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 468.51 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 60546512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).