ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate

C12H9F2NO3S — CID 113377396

IUPACethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C12H9F2NO3S/c1-2-17-11(16)9-6-18-12(15-9)19-10-5-7(13)3-4-8(10)14/h3-6H,2H2,1H3
InChIKeyZINUPPJXEAFWHM-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.28
Rot. Bonds4

About ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate

ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate (PubChem CID 113377396) has the molecular formula C12H9F2NO3S and a molecular weight of 285.27 g/mol. Its IUPAC name is ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate
PubChem CID113377396
Molecular FormulaC12H9F2NO3S
Molecular Weight285.27 g/mol
Exact Mass285.03
IUPAC Nameethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C12H9F2NO3S/c1-2-17-11(16)9-6-18-12(15-9)19-10-5-7(13)3-4-8(10)14/h3-6H,2H2,1H3
InChIKeyZINUPPJXEAFWHM-UHFFFAOYSA-N
XLogP3.28
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate 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

ethyl 4-amino-3-(2,5-difluorophenyl)sulfanylbenzoate
CID 82779803
ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 142693900
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 142682727
ethyl 2-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-oxazole-4-carboxylate
CID 103496481
ethyl 2-(2,3,5,6-tetrafluoroanilino)-1,3-oxazole-4-carboxylate
CID 107645105
ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 51205234
ethyl 6-fluoroisoquinoline-3-carboxylate
CID 73012991
ethyl 2-ethylsulfanyl-4-fluorobenzoate
CID 91875883
ethyl 2-(methyliminomethyl)-1,3-oxazole-4-carboxylate
CID 163648530
ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377178
ethyl 2-amino-4-(2,5-difluorophenyl)sulfanylbutanoate
CID 55145519

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate (CID 113377396) is ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(Sc2cc(F)ccc2F)n1.
What is the InChIKey of ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate?
The InChIKey is ZINUPPJXEAFWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO3S/c1-2-17-11(16)9-6-18-12(15-9)19-10-5-7(13)3-4-8(10)14/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate?
ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate has a molecular weight of 285.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).