methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate

C12H9F2NO4 — CID 175455125

IUPACmethyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1cnoc1-c1ccccc1OC(F)F
InChIInChI=1S/C12H9F2NO4/c1-17-11(16)8-6-15-19-10(8)7-4-2-3-5-9(7)18-12(13)14/h2-6,12H,1H3
InChIKeyREWNUXJRQFNKFL-UHFFFAOYSA-N
MW269.20 g/mol
LogP2.73
Rot. Bonds4

About methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate

methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate (PubChem CID 175455125) has the molecular formula C12H9F2NO4 and a molecular weight of 269.20 g/mol. Its IUPAC name is methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate
PubChem CID175455125
Molecular FormulaC12H9F2NO4
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Namemethyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1cnoc1-c1ccccc1OC(F)F
InChIInChI=1S/C12H9F2NO4/c1-17-11(16)8-6-15-19-10(8)7-4-2-3-5-9(7)18-12(13)14/h2-6,12H,1H3
InChIKeyREWNUXJRQFNKFL-UHFFFAOYSA-N
XLogP2.73
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate (CID 175455125) is methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate is COC(=O)c1cnoc1-c1ccccc1OC(F)F.
What is the InChIKey of methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate?
The InChIKey is REWNUXJRQFNKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO4/c1-17-11(16)8-6-15-19-10(8)7-4-2-3-5-9(7)18-12(13)14/h2-6,12H,1H3.
What are the key properties of methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate?
methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate has a molecular weight of 269.20 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 175455125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).