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

C12H18N4O4S — CID 71789365

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc3n(n2)CCCO3)CC1
InChIInChI=1S/C12H18N4O4S/c1-21(18,19)15-6-4-14(5-7-15)12(17)10-9-11-16(13-10)3-2-8-20-11/h9H,2-8H2,1H3
InChIKeyCJRNOVXNRZVVLO-UHFFFAOYSA-N
MW314.37 g/mol
LogP-0.62
Rot. Bonds2

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 71789365) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID71789365
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc3n(n2)CCCO3)CC1
InChIInChI=1S/C12H18N4O4S/c1-21(18,19)15-6-4-14(5-7-15)12(17)10-9-11-16(13-10)3-2-8-20-11/h9H,2-8H2,1H3
InChIKeyCJRNOVXNRZVVLO-UHFFFAOYSA-N
XLogP-0.62
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone (CID 71789365) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cc3n(n2)CCCO3)CC1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is CJRNOVXNRZVVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-21(18,19)15-6-4-14(5-7-15)12(17)10-9-11-16(13-10)3-2-8-20-11/h9H,2-8H2,1H3.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 314.37 g/mol, XLogP of -0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 71789365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).