N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C13H17N5O2 — CID 71789303

IUPACN-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc2n(n1)CCCO2
InChIInChI=1S/C13H17N5O2/c19-13(15-3-1-5-17-7-4-14-10-17)11-9-12-18(16-11)6-2-8-20-12/h4,7,9-10H,1-3,5-6,8H2,(H,15,19)
InChIKeyHJRHVGSMZSSQOG-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.68
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 71789303) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID71789303
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc2n(n1)CCCO2
InChIInChI=1S/C13H17N5O2/c19-13(15-3-1-5-17-7-4-14-10-17)11-9-12-18(16-11)6-2-8-20-12/h4,7,9-10H,1-3,5-6,8H2,(H,15,19)
InChIKeyHJRHVGSMZSSQOG-UHFFFAOYSA-N
XLogP0.68
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide with MolForge

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Related Compounds

[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 53584858
[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 53611965
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
CID 71789358
N-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789281
2,6-dimethoxy-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-4-pyrimidinecarboxamide
CID 28909699
2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide
CID 46968258
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((5-fluoropyrimidin-2-yl)oxy)pyrrolidin-1-yl)methanone
CID 121017651
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-((2-methylpyrimidin-4-yl)oxy)piperidin-1-yl)methanone
CID 121162698
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90634417
7-fluoro-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960063
N-[3-(2-ethylimidazol-1-yl)propyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960064
7-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960103

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 71789303) is N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(NCCCn1ccnc1)c1cc2n(n1)CCCO2.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is HJRHVGSMZSSQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c19-13(15-3-1-5-17-7-4-14-10-17)11-9-12-18(16-11)6-2-8-20-12/h4,7,9-10H,1-3,5-6,8H2,(H,15,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 71789303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).