(5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C23H22N2O2S — CID 7312096

About (5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

(5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 7312096) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is (5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

• Compound Name: (5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
• PubChem CID: 7312096
• Molecular Formula: C23H22N2O2S
• Molecular Weight: 390.51 g/mol
• Exact Mass: 390.14
• IUPAC Name: (5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
• SMILES: CCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN23)cc1
• InChI: InChI=1S/C23H22N2O2S/c1-2-13-26-17-11-9-16(10-12-17)23-25-20(18-6-3-4-7-21(18)27-23)15-19(24-25)22-8-5-14-28-22/h3-12,14,20,23H,2,13,15H2,1H3/t20-,23+/m0/s1
• InChIKey: KENBMGLNKHDSFE-NZQKXSOJSA-N
• XLogP: 5.78
• TPSA: 34.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.51
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 7312096) is (5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

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

The canonical SMILES for (5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is CCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN23)cc1.

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

The InChIKey is KENBMGLNKHDSFE-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-2-13-26-17-11-9-16(10-12-17)23-25-20(18-6-3-4-7-21(18)27-23)15-19(24-25)22-8-5-14-28-22/h3-12,14,20,23H,2,13,15H2,1H3/t20-,23+/m0/s1.

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

(5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 390.51 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 7312096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).