2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole

C13H15F2NO3 — CID 10890971

IUPAC2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc(C2=NC(C)(C)CO2)c(F)c(F)c1OC
InChIInChI=1S/C13H15F2NO3/c1-13(2)6-19-12(16-13)7-5-8(17-3)11(18-4)10(15)9(7)14/h5H,6H2,1-4H3
InChIKeyLFIRMLZZOGJWNE-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.54
Rot. Bonds3

About 2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 10890971) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID10890971
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc(C2=NC(C)(C)CO2)c(F)c(F)c1OC
InChIInChI=1S/C13H15F2NO3/c1-13(2)6-19-12(16-13)7-5-8(17-3)11(18-4)10(15)9(7)14/h5H,6H2,1-4H3
InChIKeyLFIRMLZZOGJWNE-UHFFFAOYSA-N
XLogP2.54
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 10890971) is 2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole is COc1cc(C2=NC(C)(C)CO2)c(F)c(F)c1OC.
What is the InChIKey of 2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is LFIRMLZZOGJWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-13(2)6-19-12(16-13)7-5-8(17-3)11(18-4)10(15)9(7)14/h5H,6H2,1-4H3.
What are the key properties of 2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 271.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 10890971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).