N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide

C20H23N3O3S2 — CID 22970953

About N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide

N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 22970953) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide
• PubChem CID: 22970953
• Molecular Formula: C20H23N3O3S2
• Molecular Weight: 417.56 g/mol
• Exact Mass: 417.12
• IUPAC Name: N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide
• SMILES: CC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cc3cccc(O)c3)s2)o1
• InChI: InChI=1S/C20H23N3O3S2/c1-20(2,3)9-15-10-21-17(26-15)12-27-18-11-22-19(28-18)23-16(25)8-13-5-4-6-14(24)7-13/h4-7,10-11,24H,8-9,12H2,1-3H3,(H,22,23,25)
• InChIKey: VCTORGLNBSCQFG-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 88.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.56
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide?

The IUPAC name of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide (CID 22970953) is N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide.

What is the SMILES notation for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide?

The canonical SMILES for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide is CC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cc3cccc(O)c3)s2)o1.

What is the InChIKey of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide?

The InChIKey is VCTORGLNBSCQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-20(2,3)9-15-10-21-17(26-15)12-27-18-11-22-19(28-18)23-16(25)8-13-5-4-6-14(24)7-13/h4-7,10-11,24H,8-9,12H2,1-3H3,(H,22,23,25).

What are the key properties of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide?

N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 417.56 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 22970953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).