3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid

C7H8FNO3 — CID 84766366

IUPAC3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid
SMILESO=C(O)CCc1ncc(CF)o1
InChIInChI=1S/C7H8FNO3/c8-3-5-4-9-6(12-5)1-2-7(10)11/h4H,1-3H2,(H,10,11)
InChIKeyCPXNRVUEQFIVCG-UHFFFAOYSA-N
MW173.14 g/mol
LogP1.16
Rot. Bonds4

About 3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid

3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid (PubChem CID 84766366) has the molecular formula C7H8FNO3 and a molecular weight of 173.14 g/mol. Its IUPAC name is 3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid
PubChem CID84766366
Molecular FormulaC7H8FNO3
Molecular Weight173.14 g/mol
Exact Mass173.05
IUPAC Name3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid
SMILESO=C(O)CCc1ncc(CF)o1
InChIInChI=1S/C7H8FNO3/c8-3-5-4-9-6(12-5)1-2-7(10)11/h4H,1-3H2,(H,10,11)
InChIKeyCPXNRVUEQFIVCG-UHFFFAOYSA-N
XLogP1.16
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid
CID 84653363
3-(5-propyl-1,3-oxazol-2-yl)propanoic acid
CID 115016405
3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid
CID 115042041
3-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086873
2-(5-propyl-1,3-oxazol-2-yl)acetic acid
CID 115013535
3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 84771017
4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid
CID 84667621
3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid
CID 65196994
2-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanamine
CID 84762830
3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
CID 83883065
3-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086271
3-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086428

Frequently Asked Questions

What is the IUPAC name of 3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid (CID 84766366) is 3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid is O=C(O)CCc1ncc(CF)o1.
What is the InChIKey of 3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is CPXNRVUEQFIVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3/c8-3-5-4-9-6(12-5)1-2-7(10)11/h4H,1-3H2,(H,10,11).
What are the key properties of 3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid?
3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 173.14 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(fluoromethyl)-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 84766366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).