5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

C21H17ClN2O3 — CID 4147479

About 5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 4147479) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

• Compound Name: 5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
• PubChem CID: 4147479
• Molecular Formula: C21H17ClN2O3
• Molecular Weight: 380.83 g/mol
• Exact Mass: 380.09
• IUPAC Name: 5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
• SMILES: COc1cccc2c1OC(c1cccc(Cl)c1)N1NC(c3ccco3)=CC21
• InChI: InChI=1S/C21H17ClN2O3/c1-25-19-8-3-7-15-17-12-16(18-9-4-10-26-18)23-24(17)21(27-20(15)19)13-5-2-6-14(22)11-13/h2-12,17,21,23H,1H3
• InChIKey: YHKLMJRVJYYKDL-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 46.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.83
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (CID 4147479) is 5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.

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

The canonical SMILES for 5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is COc1cccc2c1OC(c1cccc(Cl)c1)N1NC(c3ccco3)=CC21.

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

The InChIKey is YHKLMJRVJYYKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-25-19-8-3-7-15-17-12-16(18-9-4-10-26-18)23-24(17)21(27-20(15)19)13-5-2-6-14(22)11-13/h2-12,17,21,23H,1H3.

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

5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 380.83 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 4147479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).