5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C29H22F2N2O2 — CID 45032211

About 5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 45032211) has the molecular formula C29H22F2N2O2 and a molecular weight of 468.50 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

• Compound Name: 5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
• PubChem CID: 45032211
• Molecular Formula: C29H22F2N2O2
• Molecular Weight: 468.50 g/mol
• Exact Mass: 468.16
• IUPAC Name: 5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
• SMILES: FC(F)Oc1ccccc1C1Oc2ccccc2C2CC(c3ccc(-c4ccccc4)cc3)=NN21
• InChI: InChI=1S/C29H22F2N2O2/c30-29(31)35-27-13-7-5-11-23(27)28-33-25(22-10-4-6-12-26(22)34-28)18-24(32-33)21-16-14-20(15-17-21)19-8-2-1-3-9-19/h1-17,25,28-29H,18H2
• InChIKey: WAIBOLVXECTKDZ-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 34.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.50
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?

The IUPAC name of 5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 45032211) is 5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

What is the SMILES notation for 5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?

The canonical SMILES for 5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is FC(F)Oc1ccccc1C1Oc2ccccc2C2CC(c3ccc(-c4ccccc4)cc3)=NN21.

What is the InChIKey of 5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?

The InChIKey is WAIBOLVXECTKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F2N2O2/c30-29(31)35-27-13-7-5-11-23(27)28-33-25(22-10-4-6-12-26(22)34-28)18-24(32-33)21-16-14-20(15-17-21)19-8-2-1-3-9-19/h1-17,25,28-29H,18H2.

What are the key properties of 5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?

5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 468.50 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(difluoromethoxy)phenyl]-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 45032211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).