4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid

C9H10FNO3 — CID 84668658

IUPAC4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid
SMILESCc1nc2c(o1)CCCC2(F)C(=O)O
InChIInChI=1S/C9H10FNO3/c1-5-11-7-6(14-5)3-2-4-9(7,10)8(12)13/h2-4H2,1H3,(H,12,13)
InChIKeyROPDGVJWLQERDB-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.57
Rot. Bonds1

About 4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid

4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid (PubChem CID 84668658) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid
PubChem CID84668658
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid
SMILESCc1nc2c(o1)CCCC2(F)C(=O)O
InChIInChI=1S/C9H10FNO3/c1-5-11-7-6(14-5)3-2-4-9(7,10)8(12)13/h2-4H2,1H3,(H,12,13)
InChIKeyROPDGVJWLQERDB-UHFFFAOYSA-N
XLogP1.57
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid?
The IUPAC name of 4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid (CID 84668658) is 4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid.
What is the SMILES notation for 4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid?
The canonical SMILES for 4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid is Cc1nc2c(o1)CCCC2(F)C(=O)O.
What is the InChIKey of 4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid?
The InChIKey is ROPDGVJWLQERDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-5-11-7-6(14-5)3-2-4-9(7,10)8(12)13/h2-4H2,1H3,(H,12,13).
What are the key properties of 4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid?
4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid has a molecular weight of 199.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid is sourced from PubChem (CID 84668658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).