7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole

C10H10FNO2 — CID 89233579

IUPAC7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole
SMILESCCOc1c(F)ccc2c(C)noc12
InChIInChI=1S/C10H10FNO2/c1-3-13-10-8(11)5-4-7-6(2)12-14-9(7)10/h4-5H,3H2,1-2H3
InChIKeyPGKIYDYVKIAGQU-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.67
Rot. Bonds2

About 7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole

7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole (PubChem CID 89233579) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole
PubChem CID89233579
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole
SMILESCCOc1c(F)ccc2c(C)noc12
InChIInChI=1S/C10H10FNO2/c1-3-13-10-8(11)5-4-7-6(2)12-14-9(7)10/h4-5H,3H2,1-2H3
InChIKeyPGKIYDYVKIAGQU-UHFFFAOYSA-N
XLogP2.67
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole 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-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole?
The IUPAC name of 7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole (CID 89233579) is 7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole?
The canonical SMILES for 7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole is CCOc1c(F)ccc2c(C)noc12.
What is the InChIKey of 7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole?
The InChIKey is PGKIYDYVKIAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-3-13-10-8(11)5-4-7-6(2)12-14-9(7)10/h4-5H,3H2,1-2H3.
What are the key properties of 7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole?
7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole has a molecular weight of 195.19 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-fluoro-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 89233579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).