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

C12H12N2O — CID 66394653

IUPAC5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1C1Cc2ccccc21
InChIInChI=1S/C12H12N2O/c1-7-11(15-14-12(7)13)10-6-8-4-2-3-5-9(8)10/h2-5,10H,6H2,1H3,(H2,13,14)
InChIKeyYTQJEPCEWUQEPC-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.25
Rot. Bonds1

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

5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine (PubChem CID 66394653) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine
PubChem CID66394653
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1C1Cc2ccccc21
InChIInChI=1S/C12H12N2O/c1-7-11(15-14-12(7)13)10-6-8-4-2-3-5-9(8)10/h2-5,10H,6H2,1H3,(H2,13,14)
InChIKeyYTQJEPCEWUQEPC-UHFFFAOYSA-N
XLogP2.25
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-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 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine (CID 66394653) is 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine is Cc1c(N)noc1C1Cc2ccccc21.
What is the InChIKey of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine?
The InChIKey is YTQJEPCEWUQEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-7-11(15-14-12(7)13)10-6-8-4-2-3-5-9(8)10/h2-5,10H,6H2,1H3,(H2,13,14).
What are the key properties of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine?
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine has a molecular weight of 200.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66394653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).