4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid

C10H5F2NO3 — CID 82287519

IUPAC4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1ocnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H5F2NO3/c11-6-2-1-5(3-7(6)12)8-9(10(14)15)16-4-13-8/h1-4H,(H,14,15)
InChIKeyOITIRDYJXMPGNT-UHFFFAOYSA-N
MW225.15 g/mol
LogP2.32
Rot. Bonds2

About 4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid

4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 82287519) has the molecular formula C10H5F2NO3 and a molecular weight of 225.15 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid
PubChem CID82287519
Molecular FormulaC10H5F2NO3
Molecular Weight225.15 g/mol
Exact Mass225.02
IUPAC Name4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1ocnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H5F2NO3/c11-6-2-1-5(3-7(6)12)8-9(10(14)15)16-4-13-8/h1-4H,(H,14,15)
InChIKeyOITIRDYJXMPGNT-UHFFFAOYSA-N
XLogP2.32
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
CID 82131272
6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 82119054
2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid
CID 82477054
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
2-[4-(3,4-dimethylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82128624
2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881
4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
CID 53225879
3-(3,4-difluorophenyl)-5-[(E)-2-phenylethenyl]-1,2-oxazole-4-carboxylic acid
CID 66718191
[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 56750334
5-(3,4-difluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 82477044
4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole
CID 115047663
3-(3,4-difluorophenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 43328623

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid (CID 82287519) is 4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1ocnc1-c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is OITIRDYJXMPGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO3/c11-6-2-1-5(3-7(6)12)8-9(10(14)15)16-4-13-8/h1-4H,(H,14,15).
What are the key properties of 4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid?
4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 225.15 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 82287519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).