4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole

C16H27N3O — CID 79939895

IUPAC4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1CN2CCCC2CN1C(C)c1c(C)noc1C
InChIInChI=1S/C16H27N3O/c1-5-14-9-18-8-6-7-15(18)10-19(14)12(3)16-11(2)17-20-13(16)4/h12,14-15H,5-10H2,1-4H3
InChIKeyHVRMMWCXMOQUNF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.91
Rot. Bonds3

About 4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole

4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 79939895) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID79939895
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1CN2CCCC2CN1C(C)c1c(C)noc1C
InChIInChI=1S/C16H27N3O/c1-5-14-9-18-8-6-7-15(18)10-19(14)12(3)16-11(2)17-20-13(16)4/h12,14-15H,5-10H2,1-4H3
InChIKeyHVRMMWCXMOQUNF-UHFFFAOYSA-N
XLogP2.91
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-[1-(2,5-diethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237988
3-ethyl-2-(1-thiophen-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939374
2-(1-cyclopropylpropan-2-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939722
4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79231699
4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238267
3-ethyl-2-(1-methylsulfonylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939120
3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 113486761
4-[1-(5-ethyl-2-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238271
3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915981
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine
CID 79242016
3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 113478249
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine
CID 79241941

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole (CID 79939895) is 4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole is CCC1CN2CCCC2CN1C(C)c1c(C)noc1C.
What is the InChIKey of 4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HVRMMWCXMOQUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-14-9-18-8-6-7-15(18)10-19(14)12(3)16-11(2)17-20-13(16)4/h12,14-15H,5-10H2,1-4H3.
What are the key properties of 4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 277.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 79939895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).