[4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C16H22N4O4 — CID 97106792

IUPAC[4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C16H22N4O4/c21-15(12-11-14-20(17-12)4-2-10-24-14)18-5-7-19(8-6-18)16(22)13-3-1-9-23-13/h11,13H,1-10H2/t13-/m0/s1
InChIKeyMQAZWMHPARZZHR-ZDUSSCGKSA-N
MW334.38 g/mol
LogP0.13
Rot. Bonds2

About [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 97106792) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID97106792
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name[4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C16H22N4O4/c21-15(12-11-14-20(17-12)4-2-10-24-14)18-5-7-19(8-6-18)16(22)13-3-1-9-23-13/h11,13H,1-10H2/t13-/m0/s1
InChIKeyMQAZWMHPARZZHR-ZDUSSCGKSA-N
XLogP0.13
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 97106792) is [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is O=C(c1cc2n(n1)CCCO2)N1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is MQAZWMHPARZZHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O4/c21-15(12-11-14-20(17-12)4-2-10-24-14)18-5-7-19(8-6-18)16(22)13-3-1-9-23-13/h11,13H,1-10H2/t13-/m0/s1.
What are the key properties of [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 334.38 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 97106792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).