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

C24H17ClN2O2S — CID 41138040

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

(5R,10bS)-5-[5-(2-chlorophenyl)furan-2-yl]-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 41138040) has the molecular formula C24H17ClN2O2S and a molecular weight of 432.93 g/mol. Its IUPAC name is (5R,10bS)-5-[5-(2-chlorophenyl)furan-2-yl]-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

• Compound Name: (5R,10bS)-5-[5-(2-chlorophenyl)furan-2-yl]-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
• PubChem CID: 41138040
• Molecular Formula: C24H17ClN2O2S
• Molecular Weight: 432.93 g/mol
• Exact Mass: 432.07
• IUPAC Name: (5R,10bS)-5-[5-(2-chlorophenyl)furan-2-yl]-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
• SMILES: Clc1ccccc1-c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN23)o1
• InChI: InChI=1S/C24H17ClN2O2S/c25-17-8-3-1-6-15(17)21-11-12-22(28-21)24-27-19(16-7-2-4-9-20(16)29-24)14-18(26-27)23-10-5-13-30-23/h1-13,19,24H,14H2/t19-,24+/m0/s1
• InChIKey: FYDFIXKGEYGTDK-YADARESESA-N
• XLogP: 6.90
• TPSA: 37.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.93
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (5R,10bS)-5-[5-(2-chlorophenyl)furan-2-yl]-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 41138040) is (5R,10bS)-5-[5-(2-chlorophenyl)furan-2-yl]-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

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

The canonical SMILES for (5R,10bS)-5-[5-(2-chlorophenyl)furan-2-yl]-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is Clc1ccccc1-c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN23)o1.

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

The InChIKey is FYDFIXKGEYGTDK-YADARESESA-N. The full InChI is InChI=1S/C24H17ClN2O2S/c25-17-8-3-1-6-15(17)21-11-12-22(28-21)24-27-19(16-7-2-4-9-20(16)29-24)14-18(26-27)23-10-5-13-30-23/h1-13,19,24H,14H2/t19-,24+/m0/s1.

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

(5R,10bS)-5-[5-(2-chlorophenyl)furan-2-yl]-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 432.93 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,10bS)-5-[5-(2-chlorophenyl)furan-2-yl]-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 41138040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).