3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine

C17H13FN2O — CID 66396128

IUPAC3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(C2Cc3ccccc32)c1-c1cccc(F)c1
InChIInChI=1S/C17H13FN2O/c18-12-6-3-5-11(8-12)15-16(20-21-17(15)19)14-9-10-4-1-2-7-13(10)14/h1-8,14H,9,19H2
InChIKeyFVSBOZLZUOMLFX-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.75
Rot. Bonds2

About 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine

3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 66396128) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID66396128
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(C2Cc3ccccc32)c1-c1cccc(F)c1
InChIInChI=1S/C17H13FN2O/c18-12-6-3-5-11(8-12)15-16(20-21-17(15)19)14-9-10-4-1-2-7-13(10)14/h1-8,14H,9,19H2
InChIKeyFVSBOZLZUOMLFX-UHFFFAOYSA-N
XLogP3.75
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-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 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine (CID 66396128) is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(C2Cc3ccccc32)c1-c1cccc(F)c1.
What is the InChIKey of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is FVSBOZLZUOMLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-12-6-3-5-11(8-12)15-16(20-21-17(15)19)14-9-10-4-1-2-7-13(10)14/h1-8,14H,9,19H2.
What are the key properties of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 280.30 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 66396128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).