2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate

C22H17N2O4S2- — CID 86591673

About 2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate

2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate (PubChem CID 86591673) has the molecular formula C22H17N2O4S2- and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

• Compound Name: 2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate
• PubChem CID: 86591673
• Molecular Formula: C22H17N2O4S2-
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.06
• IUPAC Name: 2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc(Sc2nc(CC(=O)[O-])cs2)cc1
• InChI: InChI=1S/C22H18N2O4S2/c1-14-19(24-21(28-14)15-5-3-2-4-6-15)12-27-17-7-9-18(10-8-17)30-22-23-16(13-29-22)11-20(25)26/h2-10,13H,11-12H2,1H3,(H,25,26)/p-1
• InChIKey: ZQXLMTIKUPQZLA-UHFFFAOYSA-M
• XLogP: 4.13
• TPSA: 88.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate?

The IUPAC name of 2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate (CID 86591673) is 2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate.

What is the SMILES notation for 2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate?

The canonical SMILES for 2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate is Cc1oc(-c2ccccc2)nc1COc1ccc(Sc2nc(CC(=O)[O-])cs2)cc1.

What is the InChIKey of 2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate?

The InChIKey is ZQXLMTIKUPQZLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H18N2O4S2/c1-14-19(24-21(28-14)15-5-3-2-4-6-15)12-27-17-7-9-18(10-8-17)30-22-23-16(13-29-22)11-20(25)26/h2-10,13H,11-12H2,1H3,(H,25,26)/p-1.

What are the key properties of 2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate?

2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate has a molecular weight of 437.52 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 86591673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).