3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol

C11H11ClFNO3 — CID 59652416

IUPAC3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol
SMILESCOc1cc(C2=NOC(C)(O)C2)c(F)cc1Cl
InChIInChI=1S/C11H11ClFNO3/c1-11(15)5-9(14-17-11)6-3-10(16-2)7(12)4-8(6)13/h3-4,15H,5H2,1-2H3
InChIKeyGGDITDQXMKFMCH-UHFFFAOYSA-N
MW259.66 g/mol
LogP2.32
Rot. Bonds2

About 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol

3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol (PubChem CID 59652416) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol
PubChem CID59652416
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol
SMILESCOc1cc(C2=NOC(C)(O)C2)c(F)cc1Cl
InChIInChI=1S/C11H11ClFNO3/c1-11(15)5-9(14-17-11)6-3-10(16-2)7(12)4-8(6)13/h3-4,15H,5H2,1-2H3
InChIKeyGGDITDQXMKFMCH-UHFFFAOYSA-N
XLogP2.32
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol (CID 59652416) is 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol is COc1cc(C2=NOC(C)(O)C2)c(F)cc1Cl.
What is the InChIKey of 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol?
The InChIKey is GGDITDQXMKFMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c1-11(15)5-9(14-17-11)6-3-10(16-2)7(12)4-8(6)13/h3-4,15H,5H2,1-2H3.
What are the key properties of 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol?
3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol has a molecular weight of 259.66 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 59652416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).