3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol

C22H20N2O4 — CID 18585252

About 3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol

3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol (PubChem CID 18585252) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol.

Molecular Properties

• Compound Name: 3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
• PubChem CID: 18585252
• Molecular Formula: C22H20N2O4
• Molecular Weight: 376.41 g/mol
• Exact Mass: 376.14
• IUPAC Name: 3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
• SMILES: CCOc1cccc2c1OC(c1ccco1)N1N=C(c3cccc(O)c3)CC21
• InChI: InChI=1S/C22H20N2O4/c1-2-26-19-9-4-8-16-18-13-17(14-6-3-7-15(25)12-14)23-24(18)22(28-21(16)19)20-10-5-11-27-20/h3-12,18,22,25H,2,13H2,1H3
• InChIKey: UYNIDVCEECNRFJ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 67.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.41
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol?

The IUPAC name of 3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol (CID 18585252) is 3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol.

What is the SMILES notation for 3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol?

The canonical SMILES for 3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol is CCOc1cccc2c1OC(c1ccco1)N1N=C(c3cccc(O)c3)CC21.

What is the InChIKey of 3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol?

The InChIKey is UYNIDVCEECNRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-2-26-19-9-4-8-16-18-13-17(14-6-3-7-15(25)12-14)23-24(18)22(28-21(16)19)20-10-5-11-27-20/h3-12,18,22,25H,2,13H2,1H3.

What are the key properties of 3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol?

3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol has a molecular weight of 376.41 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol is sourced from PubChem (CID 18585252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).