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

C12H10FNO4 — CID 63931786

IUPAC5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCc2ccccc2F)on1
InChIInChI=1S/C12H10FNO4/c13-10-4-2-1-3-8(10)6-17-7-9-5-11(12(15)16)14-18-9/h1-5H,6-7H2,(H,15,16)
InChIKeyWJWHIAUCSRIXPC-UHFFFAOYSA-N
MW251.21 g/mol
LogP2.23
Rot. Bonds5

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

5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 63931786) has the molecular formula C12H10FNO4 and a molecular weight of 251.21 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID63931786
Molecular FormulaC12H10FNO4
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCc2ccccc2F)on1
InChIInChI=1S/C12H10FNO4/c13-10-4-2-1-3-8(10)6-17-7-9-5-11(12(15)16)14-18-9/h1-5H,6-7H2,(H,15,16)
InChIKeyWJWHIAUCSRIXPC-UHFFFAOYSA-N
XLogP2.23
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid (CID 63931786) is 5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COCc2ccccc2F)on1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is WJWHIAUCSRIXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4/c13-10-4-2-1-3-8(10)6-17-7-9-5-11(12(15)16)14-18-9/h1-5H,6-7H2,(H,15,16).
What are the key properties of 5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 251.21 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 63931786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).