2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid

C10H8FNO3 — CID 83859229

IUPAC2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2cccc(F)c2o1
InChIInChI=1S/C10H8FNO3/c1-5(10(13)14)9-12-7-4-2-3-6(11)8(7)15-9/h2-5H,1H3,(H,13,14)
InChIKeyGNHCCZNQYMCPAN-UHFFFAOYSA-N
MW209.18 g/mol
LogP2.15
Rot. Bonds2

About 2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid

2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid (PubChem CID 83859229) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid
PubChem CID83859229
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2cccc(F)c2o1
InChIInChI=1S/C10H8FNO3/c1-5(10(13)14)9-12-7-4-2-3-6(11)8(7)15-9/h2-5H,1H3,(H,13,14)
InChIKeyGNHCCZNQYMCPAN-UHFFFAOYSA-N
XLogP2.15
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid
CID 83866963
2-(7-fluoro-2-methyl-1-benzofuran-3-yl)propanoic acid
CID 83910703
3-(7-bromo-1,3-benzoxazol-2-yl)-2-methylbutanoic acid
CID 103500360
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone
CID 82230213
2-chloro-1-(7-fluoro-1,3-benzoxazol-2-yl)ethanone
CID 130132800
2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine
CID 156898749
2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole
CID 118803478
2-(4-nitro-1,3-benzoxazol-2-yl)propanoic acid
CID 83859232
N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine
CID 83834384
2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid
CID 118814574
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide
CID 163367426

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid?
The IUPAC name of 2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid (CID 83859229) is 2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid?
The canonical SMILES for 2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid is CC(C(=O)O)c1nc2cccc(F)c2o1.
What is the InChIKey of 2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid?
The InChIKey is GNHCCZNQYMCPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c1-5(10(13)14)9-12-7-4-2-3-6(11)8(7)15-9/h2-5H,1H3,(H,13,14).
What are the key properties of 2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid?
2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid has a molecular weight of 209.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid is sourced from PubChem (CID 83859229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).