3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole

C14H23N3O — CID 81173573

IUPAC3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole
SMILESCC(C)C1CN2CCCC2CN1Cc1ccon1
InChIInChI=1S/C14H23N3O/c1-11(2)14-10-16-6-3-4-13(16)9-17(14)8-12-5-7-18-15-12/h5,7,11,13-14H,3-4,6,8-10H2,1-2H3
InChIKeySFYZPPUCALTWQO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.98
Rot. Bonds3

About 3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole

3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole (PubChem CID 81173573) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole
PubChem CID81173573
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole
SMILESCC(C)C1CN2CCCC2CN1Cc1ccon1
InChIInChI=1S/C14H23N3O/c1-11(2)14-10-16-6-3-4-13(16)9-17(14)8-12-5-7-18-15-12/h5,7,11,13-14H,3-4,6,8-10H2,1-2H3
InChIKeySFYZPPUCALTWQO-UHFFFAOYSA-N
XLogP1.98
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole (CID 81173573) is 3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole is CC(C)C1CN2CCCC2CN1Cc1ccon1.
What is the InChIKey of 3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole?
The InChIKey is SFYZPPUCALTWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)14-10-16-6-3-4-13(16)9-17(14)8-12-5-7-18-15-12/h5,7,11,13-14H,3-4,6,8-10H2,1-2H3.
What are the key properties of 3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole?
3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole has a molecular weight of 249.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 81173573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).