5-(furan-2-yl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C21H18N2O3 — CID 23793966

About 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

5-(furan-2-yl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 23793966) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
• PubChem CID: 23793966
• Molecular Formula: C21H18N2O3
• Molecular Weight: 346.39 g/mol
• Exact Mass: 346.13
• IUPAC Name: 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
• SMILES: COc1ccc(C2=NN3C(C2)c2ccccc2OC3c2ccco2)cc1
• InChI: InChI=1S/C21H18N2O3/c1-24-15-10-8-14(9-11-15)17-13-18-16-5-2-3-6-19(16)26-21(23(18)22-17)20-7-4-12-25-20/h2-12,18,21H,13H2,1H3
• InChIKey: SSDAMYPWBSRGJN-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 47.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.39
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 23793966) is 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

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

The canonical SMILES for 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is COc1ccc(C2=NN3C(C2)c2ccccc2OC3c2ccco2)cc1.

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

The InChIKey is SSDAMYPWBSRGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-24-15-10-8-14(9-11-15)17-13-18-16-5-2-3-6-19(16)26-21(23(18)22-17)20-7-4-12-25-20/h2-12,18,21H,13H2,1H3.

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

5-(furan-2-yl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 346.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 23793966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).