1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

C15H25N3O2 — CID 79087786

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)C2CN3CCCC3CO2)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)18-7-5-12(16-18)8-14(19)15-9-17-6-3-4-13(17)10-20-15/h5,7,11,13-15,19H,3-4,6,8-10H2,1-2H3
InChIKeyGXGGDNKTWDBDSS-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.23
Rot. Bonds4

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 79087786) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID79087786
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)C2CN3CCCC3CO2)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)18-7-5-12(16-18)8-14(19)15-9-17-6-3-4-13(17)10-20-15/h5,7,11,13-15,19H,3-4,6,8-10H2,1-2H3
InChIKeyGXGGDNKTWDBDSS-UHFFFAOYSA-N
XLogP1.23
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 79087786) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1ccc(CC(O)C2CN3CCCC3CO2)n1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is GXGGDNKTWDBDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)18-7-5-12(16-18)8-14(19)15-9-17-6-3-4-13(17)10-20-15/h5,7,11,13-15,19H,3-4,6,8-10H2,1-2H3.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 279.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 79087786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).