2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid

C14H13F2NO3 — CID 114374746

IUPAC2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)Cc1nc(-c2cc(F)ccc2F)oc1C(=O)O
InChIInChI=1S/C14H13F2NO3/c1-7(2)5-11-12(14(18)19)20-13(17-11)9-6-8(15)3-4-10(9)16/h3-4,6-7H,5H2,1-2H3,(H,18,19)
InChIKeyXHJGGOXDAXEFBH-UHFFFAOYSA-N
MW281.26 g/mol
LogP3.52
Rot. Bonds4

About 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid

2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114374746) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114374746
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)Cc1nc(-c2cc(F)ccc2F)oc1C(=O)O
InChIInChI=1S/C14H13F2NO3/c1-7(2)5-11-12(14(18)19)20-13(17-11)9-6-8(15)3-4-10(9)16/h3-4,6-7H,5H2,1-2H3,(H,18,19)
InChIKeyXHJGGOXDAXEFBH-UHFFFAOYSA-N
XLogP3.52
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459766
2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374677
2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360286
4-(2-methylpropyl)-2-(5-nitrofuran-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114374662
4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842478
2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374559
2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 30733251
4-(2-methylpropyl)-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374651
2-(4-chloro-2,5-difluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373861
2-(4,5-difluoro-2-nitrophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842474
2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199281
2-(2-chloro-3-fluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459765

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid (CID 114374746) is 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid is CC(C)Cc1nc(-c2cc(F)ccc2F)oc1C(=O)O.
What is the InChIKey of 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is XHJGGOXDAXEFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3/c1-7(2)5-11-12(14(18)19)20-13(17-11)9-6-8(15)3-4-10(9)16/h3-4,6-7H,5H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 281.26 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).