5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid

C11H7F2NO4 — CID 113276438

IUPAC5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1ccccc1OC(F)F
InChIInChI=1S/C11H7F2NO4/c12-11(13)17-8-4-2-1-3-6(8)9-7(10(15)16)5-14-18-9/h1-5,11H,(H,15,16)
InChIKeySVFARVLNSSDQKX-UHFFFAOYSA-N
MW255.18 g/mol
LogP2.64
Rot. Bonds4

About 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid

5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 113276438) has the molecular formula C11H7F2NO4 and a molecular weight of 255.18 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid
PubChem CID113276438
Molecular FormulaC11H7F2NO4
Molecular Weight255.18 g/mol
Exact Mass255.03
IUPAC Name5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1ccccc1OC(F)F
InChIInChI=1S/C11H7F2NO4/c12-11(13)17-8-4-2-1-3-6(8)9-7(10(15)16)5-14-18-9/h1-5,11H,(H,15,16)
InChIKeySVFARVLNSSDQKX-UHFFFAOYSA-N
XLogP2.64
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid (CID 113276438) is 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1-c1ccccc1OC(F)F.
What is the InChIKey of 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is SVFARVLNSSDQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO4/c12-11(13)17-8-4-2-1-3-6(8)9-7(10(15)16)5-14-18-9/h1-5,11H,(H,15,16).
What are the key properties of 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid?
5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 255.18 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 113276438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).