7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine

C14H11FN2O2 — CID 90645217

IUPAC7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cccc(F)c1-c1cccc2nc(N)oc12
InChIInChI=1S/C14H11FN2O2/c1-18-11-7-3-5-9(15)12(11)8-4-2-6-10-13(8)19-14(16)17-10/h2-7H,1H3,(H2,16,17)
InChIKeyROWPQEPGMKPJNG-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.22
Rot. Bonds2

About 7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine

7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine (PubChem CID 90645217) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine
PubChem CID90645217
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cccc(F)c1-c1cccc2nc(N)oc12
InChIInChI=1S/C14H11FN2O2/c1-18-11-7-3-5-9(15)12(11)8-4-2-6-10-13(8)19-14(16)17-10/h2-7H,1H3,(H2,16,17)
InChIKeyROWPQEPGMKPJNG-UHFFFAOYSA-N
XLogP3.22
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine 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 7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine (CID 90645217) is 7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine is COc1cccc(F)c1-c1cccc2nc(N)oc12.
What is the InChIKey of 7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is ROWPQEPGMKPJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-18-11-7-3-5-9(15)12(11)8-4-2-6-10-13(8)19-14(16)17-10/h2-7H,1H3,(H2,16,17).
What are the key properties of 7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine?
7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 258.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 90645217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).