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

C16H22N4O4 — CID 71789468

IUPAC[4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H22N4O4/c21-14(12-11-17-20-4-2-10-24-16(12)20)18-5-7-19(8-6-18)15(22)13-3-1-9-23-13/h11,13H,1-10H2
InChIKeyUZEKZOKCILRXJF-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.13
Rot. Bonds2

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

[4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 71789468) 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-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID71789468
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name[4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H22N4O4/c21-14(12-11-17-20-4-2-10-24-16(12)20)18-5-7-19(8-6-18)15(22)13-3-1-9-23-13/h11,13H,1-10H2
InChIKeyUZEKZOKCILRXJF-UHFFFAOYSA-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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Related Compounds

(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
(4-oxa-1,7a-diaza-6,7-dihydro-5H-inden-3-yl){4-[(S)-perhydro-2-furoyl]-1-piperazinyl}methanone
CID 97104402
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 71789513
N-((tetrahydrofuran-2-yl)methyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789437
ethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate
CID 90537023
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(2,6-dimethylmorpholino)methanone
CID 90537031
8-oxa-3-azabicyclo[3.2.1]octan-3-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
CID 90537292
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(4-(2-methoxyethyl)piperazin-1-yl)methanone
CID 90537293
N-[[(2S)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 97042259
N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 97042260
[4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 97104403
methyl (2S)-1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 97106812

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 71789468) is [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(c1cnn2c1OCCC2)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is UZEKZOKCILRXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c21-14(12-11-17-20-4-2-10-24-16(12)20)18-5-7-19(8-6-18)15(22)13-3-1-9-23-13/h11,13H,1-10H2.
What are the key properties of [4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-1-yl]-(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-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 71789468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).