5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole

C13H19N5O — CID 86774812

IUPAC5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(C(C)N2CCn3ccnc3C2)n1
InChIInChI=1S/C13H19N5O/c1-3-4-11-15-13(19-16-11)10(2)18-8-7-17-6-5-14-12(17)9-18/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyAEDGWNHGOIWLFY-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.80
Rot. Bonds4

About 5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole

5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 86774812) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID86774812
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(C(C)N2CCn3ccnc3C2)n1
InChIInChI=1S/C13H19N5O/c1-3-4-11-15-13(19-16-11)10(2)18-8-7-17-6-5-14-12(17)9-18/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyAEDGWNHGOIWLFY-UHFFFAOYSA-N
XLogP1.80
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole (CID 86774812) is 5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(C(C)N2CCn3ccnc3C2)n1.
What is the InChIKey of 5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is AEDGWNHGOIWLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-4-11-15-13(19-16-11)10(2)18-8-7-17-6-5-14-12(17)9-18/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole?
5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 261.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 86774812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).