3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid

C8H10FNO3 — CID 83817640

IUPAC3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid
SMILESCc1cnc(C(C)(F)CC(=O)O)o1
InChIInChI=1S/C8H10FNO3/c1-5-4-10-7(13-5)8(2,9)3-6(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeyHCCFRNBAEMDNQY-UHFFFAOYSA-N
MW187.17 g/mol
LogP1.64
Rot. Bonds3

About 3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid

3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid (PubChem CID 83817640) has the molecular formula C8H10FNO3 and a molecular weight of 187.17 g/mol. Its IUPAC name is 3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid.

Molecular Properties

Compound Name3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid
PubChem CID83817640
Molecular FormulaC8H10FNO3
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid
SMILESCc1cnc(C(C)(F)CC(=O)O)o1
InChIInChI=1S/C8H10FNO3/c1-5-4-10-7(13-5)8(2,9)3-6(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeyHCCFRNBAEMDNQY-UHFFFAOYSA-N
XLogP1.64
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid?
The IUPAC name of 3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid (CID 83817640) is 3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid.
What is the SMILES notation for 3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid?
The canonical SMILES for 3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid is Cc1cnc(C(C)(F)CC(=O)O)o1.
What is the InChIKey of 3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid?
The InChIKey is HCCFRNBAEMDNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3/c1-5-4-10-7(13-5)8(2,9)3-6(11)12/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid?
3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid has a molecular weight of 187.17 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid is sourced from PubChem (CID 83817640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).