4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid

C10H13F2NO4 — CID 103198954

IUPAC4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid
SMILESCC(C)(C)OCc1nc(C(F)F)c(C(=O)O)o1
InChIInChI=1S/C10H13F2NO4/c1-10(2,3)16-4-5-13-6(8(11)12)7(17-5)9(14)15/h8H,4H2,1-3H3,(H,14,15)
InChIKeyFWTRUEKIRBNYMB-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.63
Rot. Bonds4

About 4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid

4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid (PubChem CID 103198954) has the molecular formula C10H13F2NO4 and a molecular weight of 249.21 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid
PubChem CID103198954
Molecular FormulaC10H13F2NO4
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid
SMILESCC(C)(C)OCc1nc(C(F)F)c(C(=O)O)o1
InChIInChI=1S/C10H13F2NO4/c1-10(2,3)16-4-5-13-6(8(11)12)7(17-5)9(14)15/h8H,4H2,1-3H3,(H,14,15)
InChIKeyFWTRUEKIRBNYMB-UHFFFAOYSA-N
XLogP2.63
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-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-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373124
4-(difluoromethyl)-2-(3-methoxy-2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 103199052
4-propan-2-yl-2-(propan-2-yloxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373631
5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112603813
2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103198975
2-[(2-methylpropan-2-yl)oxymethyl]-1,3-benzoxazole-6-carboxylic acid
CID 112605925
4-(difluoromethyl)-2-(4-methylsulfonylphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198970
4-(difluoromethyl)-2-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198841
2-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373709
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-[4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-5-yl]methanone
CID 138004262
ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate
CID 103199167
4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxylic acid
CID 114373081

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid (CID 103198954) is 4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid is CC(C)(C)OCc1nc(C(F)F)c(C(=O)O)o1.
What is the InChIKey of 4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is FWTRUEKIRBNYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO4/c1-10(2,3)16-4-5-13-6(8(11)12)7(17-5)9(14)15/h8H,4H2,1-3H3,(H,14,15).
What are the key properties of 4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid?
4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 249.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103198954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).