3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole

C12H15N3O — CID 96610543

IUPAC3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1ccn2c1CNCC2
InChIInChI=1S/C12H15N3O/c1-8-12(9(2)16-14-8)10-3-5-15-6-4-13-7-11(10)15/h3,5,13H,4,6-7H2,1-2H3
InChIKeyZUESDBXRILWBBR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.86
Rot. Bonds1

About 3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole

3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole (PubChem CID 96610543) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole
PubChem CID96610543
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1ccn2c1CNCC2
InChIInChI=1S/C12H15N3O/c1-8-12(9(2)16-14-8)10-3-5-15-6-4-13-7-11(10)15/h3,5,13H,4,6-7H2,1-2H3
InChIKeyZUESDBXRILWBBR-UHFFFAOYSA-N
XLogP1.86
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole (CID 96610543) is 3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole is Cc1noc(C)c1-c1ccn2c1CNCC2.
What is the InChIKey of 3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole?
The InChIKey is ZUESDBXRILWBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-12(9(2)16-14-8)10-3-5-15-6-4-13-7-11(10)15/h3,5,13H,4,6-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole?
3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole has a molecular weight of 217.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)-1,2-oxazole is sourced from PubChem (CID 96610543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).