1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone

C14H14FNO3S — CID 106924087

IUPAC1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CSc2nc(C)c(C)o2)c1O
InChIInChI=1S/C14H14FNO3S/c1-7-9(3)19-14(16-7)20-6-10-4-11(15)5-12(8(2)17)13(10)18/h4-5,18H,6H2,1-3H3
InChIKeyCMVDFFZPODESTL-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.63
Rot. Bonds4

About 1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone

1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone (PubChem CID 106924087) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone
PubChem CID106924087
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CSc2nc(C)c(C)o2)c1O
InChIInChI=1S/C14H14FNO3S/c1-7-9(3)19-14(16-7)20-6-10-4-11(15)5-12(8(2)17)13(10)18/h4-5,18H,6H2,1-3H3
InChIKeyCMVDFFZPODESTL-UHFFFAOYSA-N
XLogP3.63
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]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

[5-(4-Fluoro-phenyl)-2-methylsulfanyl-oxazol-4-yl]-methanol
CID 18700449
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-2-fluorobenzoic acid
CID 106920928
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-(trifluoromethyl)benzoic acid
CID 106921193
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-fluorobenzoic acid
CID 106921242
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-fluorobenzoic acid
CID 106926100
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-fluorobenzoic acid
CID 106926175
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluorobenzoic acid
CID 106926186
5-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-2-fluorobenzoic acid
CID 107881447
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-fluorobenzoic acid
CID 107909003
1-(5-Fluoro-2-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 113825317
1-(5-Fluoro-2-hydroxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 113825328
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-difluorobenzoic acid
CID 113893300

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone (CID 106924087) is 1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone is CC(=O)c1cc(F)cc(CSc2nc(C)c(C)o2)c1O.
What is the InChIKey of 1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The InChIKey is CMVDFFZPODESTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-7-9(3)19-14(16-7)20-6-10-4-11(15)5-12(8(2)17)13(10)18/h4-5,18H,6H2,1-3H3.
What are the key properties of 1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone?
1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone has a molecular weight of 295.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 106924087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).