methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate

C16H13FN2O3 — CID 22180105

IUPACmethyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate
SMILESCOC(=O)c1cc2ncoc2c(F)c1Nc1ccccc1C
InChIInChI=1S/C16H13FN2O3/c1-9-5-3-4-6-11(9)19-14-10(16(20)21-2)7-12-15(13(14)17)22-8-18-12/h3-8,19H,1-2H3
InChIKeyZBPVEOFQOVEEEQ-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.81
Rot. Bonds3

About methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate

methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate (PubChem CID 22180105) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate
PubChem CID22180105
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Namemethyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate
SMILESCOC(=O)c1cc2ncoc2c(F)c1Nc1ccccc1C
InChIInChI=1S/C16H13FN2O3/c1-9-5-3-4-6-11(9)19-14-10(16(20)21-2)7-12-15(13(14)17)22-8-18-12/h3-8,19H,1-2H3
InChIKeyZBPVEOFQOVEEEQ-UHFFFAOYSA-N
XLogP3.81
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate 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 methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate?
The IUPAC name of methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate (CID 22180105) is methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate.
What is the SMILES notation for methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate?
The canonical SMILES for methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate is COC(=O)c1cc2ncoc2c(F)c1Nc1ccccc1C.
What is the InChIKey of methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate?
The InChIKey is ZBPVEOFQOVEEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-9-5-3-4-6-11(9)19-14-10(16(20)21-2)7-12-15(13(14)17)22-8-18-12/h3-8,19H,1-2H3.
What are the key properties of methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate?
methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate has a molecular weight of 300.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-6-(2-methylanilino)-1,3-benzoxazole-5-carboxylate is sourced from PubChem (CID 22180105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).