methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate

C11H10FNO3 — CID 22402925

IUPACmethyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate
SMILESCOC(=O)C(C)c1noc2cc(F)ccc12
InChIInChI=1S/C11H10FNO3/c1-6(11(14)15-2)10-8-4-3-7(12)5-9(8)16-13-10/h3-6H,1-2H3
InChIKeyJGCLMSDAGMXQRL-UHFFFAOYSA-N
MW223.20 g/mol
LogP2.24
Rot. Bonds2

About methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate

methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate (PubChem CID 22402925) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate
PubChem CID22402925
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Namemethyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate
SMILESCOC(=O)C(C)c1noc2cc(F)ccc12
InChIInChI=1S/C11H10FNO3/c1-6(11(14)15-2)10-8-4-3-7(12)5-9(8)16-13-10/h3-6H,1-2H3
InChIKeyJGCLMSDAGMXQRL-UHFFFAOYSA-N
XLogP2.24
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate?
The IUPAC name of methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate (CID 22402925) is methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate.
What is the SMILES notation for methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate?
The canonical SMILES for methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate is COC(=O)C(C)c1noc2cc(F)ccc12.
What is the InChIKey of methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate?
The InChIKey is JGCLMSDAGMXQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-6(11(14)15-2)10-8-4-3-7(12)5-9(8)16-13-10/h3-6H,1-2H3.
What are the key properties of methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate?
methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate has a molecular weight of 223.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate is sourced from PubChem (CID 22402925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).