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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate
CID 57447177
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270
methyl (2S)-2-[[(1S)-1-[2-(6-fluoro-1,2-benzoxazol-3-yl)phenyl]but-3-enyl]amino]-3-methylbutanoate
CID 54180205
methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide
CID 136969997
methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate
CID 3061223
benzyl 2-(1,2-benzoxazol-3-yl)propanoate
CID 134527830
3-propan-2-yl-1,2-benzoxazole-6-carboxylic acid
CID 105457090
[3-(6-fluoro-1,2-benzoxazol-3-yl)-5-iodopentyl] methanesulfonate
CID 134990803
4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide
CID 58484940
methyl 2-(1,2-oxazol-5-yl)propanoate
CID 90936290

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).