(6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C22H20ClN3O2 — CID 99744958

About (6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

(6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 99744958) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is (6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: (6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
• PubChem CID: 99744958
• Molecular Formula: C22H20ClN3O2
• Molecular Weight: 393.87 g/mol
• Exact Mass: 393.12
• IUPAC Name: (6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
• SMILES: O=C(N[C@@H]1CCc2ccccc21)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2
• InChI: InChI=1S/C22H20ClN3O2/c23-16-8-5-15(6-9-16)21-12-26-17(13-28-21)11-20(25-26)22(27)24-19-10-7-14-3-1-2-4-18(14)19/h1-6,8-9,11,19,21H,7,10,12-13H2,(H,24,27)/t19-,21+/m1/s1
• InChIKey: KBSDXLRQTHCGQL-CTNGQTDRSA-N
• XLogP: 4.23
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.87
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?

The IUPAC name of (6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 99744958) is (6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

What is the SMILES notation for (6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?

The canonical SMILES for (6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is O=C(N[C@@H]1CCc2ccccc21)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2.

What is the InChIKey of (6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?

The InChIKey is KBSDXLRQTHCGQL-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-16-8-5-15(6-9-16)21-12-26-17(13-28-21)11-20(25-26)22(27)24-19-10-7-14-3-1-2-4-18(14)19/h1-6,8-9,11,19,21H,7,10,12-13H2,(H,24,27)/t19-,21+/m1/s1.

What are the key properties of (6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?

(6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 99744958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).