[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone

C19H22ClN3O3 — CID 129345431

IUPAC[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
SMILESCC1(C)CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C19H22ClN3O3/c1-19(2)12-26-16(13-6-3-4-7-14(13)20)11-22(19)18(24)15-10-17-23(21-15)8-5-9-25-17/h3-4,6-7,10,16H,5,8-9,11-12H2,1-2H3/t16-/m0/s1
InChIKeyXQWVMPFRYAJZSD-INIZCTEOSA-N
MW375.86 g/mol
LogP3.31
Rot. Bonds2

About [(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone

[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone (PubChem CID 129345431) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is [(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
PubChem CID129345431
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
SMILESCC1(C)CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C19H22ClN3O3/c1-19(2)12-26-16(13-6-3-4-7-14(13)20)11-22(19)18(24)15-10-17-23(21-15)8-5-9-25-17/h3-4,6-7,10,16H,5,8-9,11-12H2,1-2H3/t16-/m0/s1
InChIKeyXQWVMPFRYAJZSD-INIZCTEOSA-N
XLogP3.31
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
The IUPAC name of [(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone (CID 129345431) is [(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone.
What is the SMILES notation for [(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
The canonical SMILES for [(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone is CC1(C)CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc2n(n1)CCCO2.
What is the InChIKey of [(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
The InChIKey is XQWVMPFRYAJZSD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-19(2)12-26-16(13-6-3-4-7-14(13)20)11-22(19)18(24)15-10-17-23(21-15)8-5-9-25-17/h3-4,6-7,10,16H,5,8-9,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of [(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone has a molecular weight of 375.86 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone is sourced from PubChem (CID 129345431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).