5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid

C12H9ClFNO4 — CID 90325816

IUPAC5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCc2cc(F)cc(Cl)c2)on1
InChIInChI=1S/C12H9ClFNO4/c13-8-1-7(2-9(14)3-8)5-18-6-10-4-11(12(16)17)15-19-10/h1-4H,5-6H2,(H,16,17)
InChIKeyGNHJVTOPJMWMPQ-UHFFFAOYSA-N
MW285.66 g/mol
LogP2.88
Rot. Bonds5

About 5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid

5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 90325816) has the molecular formula C12H9ClFNO4 and a molecular weight of 285.66 g/mol. Its IUPAC name is 5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID90325816
Molecular FormulaC12H9ClFNO4
Molecular Weight285.66 g/mol
Exact Mass285.02
IUPAC Name5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCc2cc(F)cc(Cl)c2)on1
InChIInChI=1S/C12H9ClFNO4/c13-8-1-7(2-9(14)3-8)5-18-6-10-4-11(12(16)17)15-19-10/h1-4H,5-6H2,(H,16,17)
InChIKeyGNHJVTOPJMWMPQ-UHFFFAOYSA-N
XLogP2.88
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.66
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325815
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397630
5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 118536656
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 61397623
5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 46738434
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66322137
5-[(2,4,5-trichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397549
5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 90326056
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 112586972
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid
CID 102721456
3-(3-chloro-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 114453827

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid (CID 90325816) is 5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COCc2cc(F)cc(Cl)c2)on1.
What is the InChIKey of 5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is GNHJVTOPJMWMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO4/c13-8-1-7(2-9(14)3-8)5-18-6-10-4-11(12(16)17)15-19-10/h1-4H,5-6H2,(H,16,17).
What are the key properties of 5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 285.66 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 90325816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).