4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole

C11H17N3O — CID 112716869

IUPAC4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole
SMILESCc1oncc1C1CN2CCCC2CN1
InChIInChI=1S/C11H17N3O/c1-8-10(6-13-15-8)11-7-14-4-2-3-9(14)5-12-11/h6,9,11-12H,2-5,7H2,1H3
InChIKeyADXUXBCTWMMBMV-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.09
Rot. Bonds1

About 4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole

4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole (PubChem CID 112716869) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole
PubChem CID112716869
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole
SMILESCc1oncc1C1CN2CCCC2CN1
InChIInChI=1S/C11H17N3O/c1-8-10(6-13-15-8)11-7-14-4-2-3-9(14)5-12-11/h6,9,11-12H,2-5,7H2,1H3
InChIKeyADXUXBCTWMMBMV-UHFFFAOYSA-N
XLogP1.09
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
CID 83917617
(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 166931143
3-(chloromethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 130774969
(3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 66523127
5-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-3-yl)-4-ethylphenyl]-3-bromopyridin-2-amine
CID 155744989
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
CID 66927099
1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one
CID 82407616
methyl (3R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate
CID 10583633
1-cyclohexyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110269139
3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 107586886
3-(methoxymethyl)-1-(6-methylpiperidin-3-yl)piperidine
CID 106587151
3-[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-6-fluoro-2-methylbenzonitrile
CID 130439318

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole?
The IUPAC name of 4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole (CID 112716869) is 4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole?
The canonical SMILES for 4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole is Cc1oncc1C1CN2CCCC2CN1.
What is the InChIKey of 4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole?
The InChIKey is ADXUXBCTWMMBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-10(6-13-15-8)11-7-14-4-2-3-9(14)5-12-11/h6,9,11-12H,2-5,7H2,1H3.
What are the key properties of 4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole?
4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole has a molecular weight of 207.28 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 112716869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).