7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole

C21H19F3N2O2 — CID 67170761

IUPAC7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole
SMILESC=Cc1ccc2c(c1)CCc1c-2noc1-c1noc(CC(C)C)c1C(F)(F)F
InChIInChI=1S/C21H19F3N2O2/c1-4-12-5-7-14-13(10-12)6-8-15-18(14)25-28-20(15)19-17(21(22,23)24)16(27-26-19)9-11(2)3/h4-5,7,10-11H,1,6,8-9H2,2-3H3
InChIKeyDTCZEHZUWQLVMU-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.96
Rot. Bonds4

About 7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole

7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole (PubChem CID 67170761) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole.

Molecular Properties

Compound Name7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole
PubChem CID67170761
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole
SMILESC=Cc1ccc2c(c1)CCc1c-2noc1-c1noc(CC(C)C)c1C(F)(F)F
InChIInChI=1S/C21H19F3N2O2/c1-4-12-5-7-14-13(10-12)6-8-15-18(14)25-28-20(15)19-17(21(22,23)24)16(27-26-19)9-11(2)3/h4-5,7,10-11H,1,6,8-9H2,2-3H3
InChIKeyDTCZEHZUWQLVMU-UHFFFAOYSA-N
XLogP5.96
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]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-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole?
The IUPAC name of 7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole (CID 67170761) is 7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole.
What is the SMILES notation for 7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole?
The canonical SMILES for 7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole is C=Cc1ccc2c(c1)CCc1c-2noc1-c1noc(CC(C)C)c1C(F)(F)F.
What is the InChIKey of 7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole?
The InChIKey is DTCZEHZUWQLVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-4-12-5-7-14-13(10-12)6-8-15-18(14)25-28-20(15)19-17(21(22,23)24)16(27-26-19)9-11(2)3/h4-5,7,10-11H,1,6,8-9H2,2-3H3.
What are the key properties of 7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole?
7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole has a molecular weight of 388.39 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole is sourced from PubChem (CID 67170761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).