[(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone

C19H22ClN3O2 — CID 99744893

IUPAC[(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)CC1
InChIInChI=1S/C19H22ClN3O2/c1-13-6-8-22(9-7-13)19(24)17-10-16-12-25-18(11-23(16)21-17)14-2-4-15(20)5-3-14/h2-5,10,13,18H,6-9,11-12H2,1H3/t18-/m1/s1
InChIKeyVUYPGZZTLPFHBD-GOSISDBHSA-N
MW359.86 g/mol
LogP3.68
Rot. Bonds2

About [(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone

[(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 99744893) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID99744893
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)CC1
InChIInChI=1S/C19H22ClN3O2/c1-13-6-8-22(9-7-13)19(24)17-10-16-12-25-18(11-23(16)21-17)14-2-4-15(20)5-3-14/h2-5,10,13,18H,6-9,11-12H2,1H3/t18-/m1/s1
InChIKeyVUYPGZZTLPFHBD-GOSISDBHSA-N
XLogP3.68
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 99744862
[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 91889706
[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 91889711
[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 99744894
[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 99744858
(6S)-6-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99738797
6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889794
(6R)-6-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99745240
(6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99744913
6-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889807
6-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889818
(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

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 99744893) is [(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)CC1.
What is the InChIKey of [(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VUYPGZZTLPFHBD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13-6-8-22(9-7-13)19(24)17-10-16-12-25-18(11-23(16)21-17)14-2-4-15(20)5-3-14/h2-5,10,13,18H,6-9,11-12H2,1H3/t18-/m1/s1.
What are the key properties of [(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 359.86 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 99744893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).