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

C23H16F3N3O — CID 67170420

IUPAC7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole
SMILESC=Cc1ccc2c(c1)CCc1c-2noc1-c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C23H16F3N3O/c1-2-14-8-10-17-15(12-14)9-11-18-20(17)28-30-21(18)19-13-27-29(22(19)23(24,25)26)16-6-4-3-5-7-16/h2-8,10,12-13H,1,9,11H2
InChIKeyHWJPFJOFARBWOA-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.95
Rot. Bonds3

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

7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole (PubChem CID 67170420) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is 7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole.

Molecular Properties

Compound Name7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole
PubChem CID67170420
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole
SMILESC=Cc1ccc2c(c1)CCc1c-2noc1-c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C23H16F3N3O/c1-2-14-8-10-17-15(12-14)9-11-18-20(17)28-30-21(18)19-13-27-29(22(19)23(24,25)26)16-6-4-3-5-7-16/h2-8,10,12-13H,1,9,11H2
InChIKeyHWJPFJOFARBWOA-UHFFFAOYSA-N
XLogP5.95
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-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-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole?
The IUPAC name of 7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole (CID 67170420) is 7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole.
What is the SMILES notation for 7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole?
The canonical SMILES for 7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole is C=Cc1ccc2c(c1)CCc1c-2noc1-c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole?
The InChIKey is HWJPFJOFARBWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c1-2-14-8-10-17-15(12-14)9-11-18-20(17)28-30-21(18)19-13-27-29(22(19)23(24,25)26)16-6-4-3-5-7-16/h2-8,10,12-13H,1,9,11H2.
What are the key properties of 7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole?
7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole has a molecular weight of 407.40 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole is sourced from PubChem (CID 67170420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).