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

C17H19ClN4O2 — CID 71789428

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H19ClN4O2/c18-14-4-1-2-5-15(14)20-7-9-21(10-8-20)16(23)13-12-19-22-6-3-11-24-17(13)22/h1-2,4-5,12H,3,6-11H2
InChIKeyHJZUZDRWYCLCSI-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.28
Rot. Bonds2

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

[4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone (PubChem CID 71789428) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
PubChem CID71789428
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H19ClN4O2/c18-14-4-1-2-5-15(14)20-7-9-21(10-8-20)16(23)13-12-19-22-6-3-11-24-17(13)22/h1-2,4-5,12H,3,6-11H2
InChIKeyHJZUZDRWYCLCSI-UHFFFAOYSA-N
XLogP2.28
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7-(2-chlorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
CID 121193066
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone
CID 90537022
[4-(2-chlorophenyl)piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 51309762
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate
CID 71789514
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone
CID 90537019
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6468388
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
CID 91959494
[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
CID 70315409
(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91959549
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 112729784
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone (CID 71789428) is [4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone is O=C(c1cnn2c1OCCC2)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone?
The InChIKey is HJZUZDRWYCLCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-14-4-1-2-5-15(14)20-7-9-21(10-8-20)16(23)13-12-19-22-6-3-11-24-17(13)22/h1-2,4-5,12H,3,6-11H2.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone has a molecular weight of 346.82 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone is sourced from PubChem (CID 71789428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).