5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid

C5H4FNO3 — CID 10374574

IUPAC5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CF)on1
InChIInChI=1S/C5H4FNO3/c6-2-3-1-4(5(8)9)7-10-3/h1H,2H2,(H,8,9)
InChIKeyWVUKMWOGVJZCSS-UHFFFAOYSA-N
MW145.09 g/mol
LogP0.84
Rot. Bonds2

About 5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid

5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 10374574) has the molecular formula C5H4FNO3 and a molecular weight of 145.09 g/mol. Its IUPAC name is 5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID10374574
Molecular FormulaC5H4FNO3
Molecular Weight145.09 g/mol
Exact Mass145.02
IUPAC Name5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CF)on1
InChIInChI=1S/C5H4FNO3/c6-2-3-1-4(5(8)9)7-10-3/h1H,2H2,(H,8,9)
InChIKeyWVUKMWOGVJZCSS-UHFFFAOYSA-N
XLogP0.84
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.09
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-isoxazolecarboxylic acid
CID 76947
3-Methylisoxazole-5-carboxylic acid
CID 853085
Methyl 5-methylisoxazole-3-carboxylate
CID 88245
5-Cyclopropyl-1,2-oxazole-3-carboxylic acid
CID 1092113
5-Ethyl-1,2-oxazole-3-carboxylic acid
CID 6483811
5-(Propan-2-yl)-1,2-oxazole-3-carboxylic acid
CID 6483812
5-(Hydroxymethyl)-1,2-oxazole-3-carboxylic acid
CID 8027249
Methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
CID 10034860
Ethyl 5-methylisoxazole-3-carboxylate
CID 76677
(5-Methyl-1,2-oxazol-3-yl)methanol
CID 2736567
[5-(Trifluoromethyl)-1,2-oxazol-3-yl]methanol
CID 15365200
5-((Dimethylamino)methyl)-1,2-oxazole-3-carboxylic acid hydrochloride
CID 71757866

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid (CID 10374574) is 5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CF)on1.
What is the InChIKey of 5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is WVUKMWOGVJZCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO3/c6-2-3-1-4(5(8)9)7-10-3/h1H,2H2,(H,8,9).
What are the key properties of 5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid?
5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 145.09 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 10374574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).