3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one

C15H12F2N2O4S — CID 146499720

About 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one

3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one (PubChem CID 146499720) has the molecular formula C15H12F2N2O4S and a molecular weight of 354.33 g/mol. Its IUPAC name is 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one
• PubChem CID: 146499720
• Molecular Formula: C15H12F2N2O4S
• Molecular Weight: 354.33 g/mol
• Exact Mass: 354.05
• IUPAC Name: 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one
• SMILES: CCc1cn(-c2noc3c(F)c(F)c(C4OCCO4)cc23)c(=O)s1
• InChI: InChI=1S/C15H12F2N2O4S/c1-2-7-6-19(15(20)24-7)13-9-5-8(14-21-3-4-22-14)10(16)11(17)12(9)23-18-13/h5-6,14H,2-4H2,1H3
• InChIKey: SXWKTDWCIXCVNU-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 66.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.33
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one?

The IUPAC name of 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one (CID 146499720) is 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one.

What is the SMILES notation for 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one?

The canonical SMILES for 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one is CCc1cn(-c2noc3c(F)c(F)c(C4OCCO4)cc23)c(=O)s1.

What is the InChIKey of 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one?

The InChIKey is SXWKTDWCIXCVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4S/c1-2-7-6-19(15(20)24-7)13-9-5-8(14-21-3-4-22-14)10(16)11(17)12(9)23-18-13/h5-6,14H,2-4H2,1H3.

What are the key properties of 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one?

3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one has a molecular weight of 354.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-thiazol-2-one is sourced from PubChem (CID 146499720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).