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

C20H24N4O2 — CID 71789459

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H24N4O2/c25-19(18-16-21-24-10-5-15-26-20(18)24)23-13-11-22(12-14-23)9-4-8-17-6-2-1-3-7-17/h1-4,6-8,16H,5,9-15H2/b8-4+
InChIKeyBLQRJWAZHKMCGF-XBXARRHUSA-N
MW352.44 g/mol
LogP2.14
Rot. Bonds4

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 71789459) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID71789459
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H24N4O2/c25-19(18-16-21-24-10-5-15-26-20(18)24)23-13-11-22(12-14-23)9-4-8-17-6-2-1-3-7-17/h1-4,6-8,16H,5,9-15H2/b8-4+
InChIKeyBLQRJWAZHKMCGF-XBXARRHUSA-N
XLogP2.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 71789459) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is O=C(c1cnn2c1OCCC2)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is BLQRJWAZHKMCGF-XBXARRHUSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(18-16-21-24-10-5-15-26-20(18)24)23-13-11-22(12-14-23)9-4-8-17-6-2-1-3-7-17/h1-4,6-8,16H,5,9-15H2/b8-4+.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71789459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).