(6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C20H18ClN3O2 — CID 99744913

About (6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

(6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 99744913) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is (6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
• PubChem CID: 99744913
• Molecular Formula: C20H18ClN3O2
• Molecular Weight: 367.84 g/mol
• Exact Mass: 367.11
• IUPAC Name: (6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
• SMILES: O=C(NCc1ccccc1)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2
• InChI: InChI=1S/C20H18ClN3O2/c21-16-8-6-15(7-9-16)19-12-24-17(13-26-19)10-18(23-24)20(25)22-11-14-4-2-1-3-5-14/h1-10,19H,11-13H2,(H,22,25)/t19-/m1/s1
• InChIKey: DEHRWLZWRFOBCX-LJQANCHMSA-N
• XLogP: 3.74
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.84
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 99744913) is (6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

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

The canonical SMILES for (6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is O=C(NCc1ccccc1)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2.

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

The InChIKey is DEHRWLZWRFOBCX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-8-6-15(7-9-16)19-12-24-17(13-26-19)10-18(23-24)20(25)22-11-14-4-2-1-3-5-14/h1-10,19H,11-13H2,(H,22,25)/t19-/m1/s1.

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

(6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 99744913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).