4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid

C10H5F2NO3 — CID 134209886

IUPAC4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cc2F)co1
InChIInChI=1S/C10H5F2NO3/c11-5-1-2-6(7(12)3-5)8-4-16-9(13-8)10(14)15/h1-4H,(H,14,15)
InChIKeySQVSEIDBTNTABN-UHFFFAOYSA-N
MW225.15 g/mol
LogP2.32
Rot. Bonds2

About 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid

4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid (PubChem CID 134209886) has the molecular formula C10H5F2NO3 and a molecular weight of 225.15 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid
PubChem CID134209886
Molecular FormulaC10H5F2NO3
Molecular Weight225.15 g/mol
Exact Mass225.02
IUPAC Name4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cc2F)co1
InChIInChI=1S/C10H5F2NO3/c11-5-1-2-6(7(12)3-5)8-4-16-9(13-8)10(14)15/h1-4H,(H,14,15)
InChIKeySQVSEIDBTNTABN-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

(3S,4S)-1-(cyclopropylmethyl)-4-[[4-(2,4-difluorophenyl)-1,3-oxazole-2-carbonyl]amino]piperidine-3-carboxylic acid
CID 138676274
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
1-[4-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methylphenyl)urea
CID 23555728
4-(2,4-difluorophenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-oxazole
CID 162281204
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3881331
3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide
CID 175861670
3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid
CID 134083419
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
CID 53225857
[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63102442
6-(2,4-difluorophenyl)-N,N-dimethylpyridine-2-carboxamide
CID 77083219

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid (CID 134209886) is 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid is O=C(O)c1nc(-c2ccc(F)cc2F)co1.
What is the InChIKey of 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is SQVSEIDBTNTABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO3/c11-5-1-2-6(7(12)3-5)8-4-16-9(13-8)10(14)15/h1-4H,(H,14,15).
What are the key properties of 4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid?
4-(2,4-difluorophenyl)-1,3-oxazole-2-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-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 134209886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).