2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone

C17H11F4NO4S — CID 7864994

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone
SMILESO=C(CSc1nc2ccccc2o1)c1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C17H11F4NO4S/c18-15(19)24-9-5-6-10(14(7-9)25-16(20)21)12(23)8-27-17-22-11-3-1-2-4-13(11)26-17/h1-7,15-16H,8H2
InChIKeyUHJUSVMTOHRSPF-UHFFFAOYSA-N
MW401.34 g/mol
LogP5.01
Rot. Bonds8

About 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone

2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone (PubChem CID 7864994) has the molecular formula C17H11F4NO4S and a molecular weight of 401.34 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone
PubChem CID7864994
Molecular FormulaC17H11F4NO4S
Molecular Weight401.34 g/mol
Exact Mass401.03
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone
SMILESO=C(CSc1nc2ccccc2o1)c1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C17H11F4NO4S/c18-15(19)24-9-5-6-10(14(7-9)25-16(20)21)12(23)8-27-17-22-11-3-1-2-4-13(11)26-17/h1-7,15-16H,8H2
InChIKeyUHJUSVMTOHRSPF-UHFFFAOYSA-N
XLogP5.01
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.34
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 2125900
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 41368833
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7835995
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-chloro-2-hydroxyphenyl)ethanone
CID 10018875
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-hydroxy-5-methylphenyl)ethanone
CID 5012767
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222095
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-phenylphenyl)ethanone
CID 602357
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)ethanone
CID 23768615
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 38114418
3-(1,3-benzoxazol-2-ylsulfanyl)-2-chloropropanoic acid
CID 3108359
1,3-benzoxazol-2-ylmethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 9458118
benzyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 690612

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone (CID 7864994) is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone is O=C(CSc1nc2ccccc2o1)c1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone?
The InChIKey is UHJUSVMTOHRSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4NO4S/c18-15(19)24-9-5-6-10(14(7-9)25-16(20)21)12(23)8-27-17-22-11-3-1-2-4-13(11)26-17/h1-7,15-16H,8H2.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone?
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone has a molecular weight of 401.34 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 7864994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).