2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol

C13H8ClFN2O3S — CID 169239031

IUPAC2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol
SMILESCc1onc(-c2c(F)cccc2Cl)c1-c1nc(O)c(O)s1
InChIInChI=1S/C13H8ClFN2O3S/c1-5-8(12-16-11(18)13(19)21-12)10(17-20-5)9-6(14)3-2-4-7(9)15/h2-4,18-19H,1H3
InChIKeyZHEOJMXOEHIFNF-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.98
Rot. Bonds2

About 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol

2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol (PubChem CID 169239031) has the molecular formula C13H8ClFN2O3S and a molecular weight of 326.74 g/mol. Its IUPAC name is 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol.

Molecular Properties

Compound Name2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol
PubChem CID169239031
Molecular FormulaC13H8ClFN2O3S
Molecular Weight326.74 g/mol
Exact Mass325.99
IUPAC Name2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol
SMILESCc1onc(-c2c(F)cccc2Cl)c1-c1nc(O)c(O)s1
InChIInChI=1S/C13H8ClFN2O3S/c1-5-8(12-16-11(18)13(19)21-12)10(17-20-5)9-6(14)3-2-4-7(9)15/h2-4,18-19H,1H3
InChIKeyZHEOJMXOEHIFNF-UHFFFAOYSA-N
XLogP3.98
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol with MolForge

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Related Compounds

methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-hydroxyphenyl)methanone
CID 2805212
(R)-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-fluorophenyl)methanol
CID 6929312
4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 66200303
methyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1246055
(4-chlorophenyl)-[2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-5-yl]methanone
CID 3303392
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71890892
3-(2-chloro-6-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 5223953
3-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891
3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 2742677
5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 2742641

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol?
The IUPAC name of 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol (CID 169239031) is 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol.
What is the SMILES notation for 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol?
The canonical SMILES for 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol is Cc1onc(-c2c(F)cccc2Cl)c1-c1nc(O)c(O)s1.
What is the InChIKey of 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol?
The InChIKey is ZHEOJMXOEHIFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3S/c1-5-8(12-16-11(18)13(19)21-12)10(17-20-5)9-6(14)3-2-4-7(9)15/h2-4,18-19H,1H3.
What are the key properties of 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol?
2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol has a molecular weight of 326.74 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol is sourced from PubChem (CID 169239031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).