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

C22H20N2O2S — CID 2147821

IUPAC(5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2C=C(c3cccs3)NN21
InChIInChI=1S/C22H20N2O2S/c1-2-25-19-10-5-4-9-16(19)22-24-18(15-8-3-6-11-20(15)26-22)14-17(23-24)21-12-7-13-27-21/h3-14,18,22-23H,2H2,1H3/t18-,22-/m1/s1
InChIKeyBWEFBKOQGMSARV-XMSQKQJNSA-N
MW376.48 g/mol
LogP5.14
Rot. Bonds4

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

(5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 2147821) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is (5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name(5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID2147821
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name(5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2C=C(c3cccs3)NN21
InChIInChI=1S/C22H20N2O2S/c1-2-25-19-10-5-4-9-16(19)22-24-18(15-8-3-6-11-20(15)26-22)14-17(23-24)21-12-7-13-27-21/h3-14,18,22-23H,2H2,1H3/t18-,22-/m1/s1
InChIKeyBWEFBKOQGMSARV-XMSQKQJNSA-N
XLogP5.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of (5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (CID 2147821) is (5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for (5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for (5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is CCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2C=C(c3cccs3)NN21.
What is the InChIKey of (5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is BWEFBKOQGMSARV-XMSQKQJNSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-2-25-19-10-5-4-9-16(19)22-24-18(15-8-3-6-11-20(15)26-22)14-17(23-24)21-12-7-13-27-21/h3-14,18,22-23H,2H2,1H3/t18-,22-/m1/s1.
What are the key properties of (5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
(5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 376.48 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10bR)-5-(2-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 2147821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).