2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole

C13H16N4O — CID 73439979

IUPAC2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole
SMILESCN1CCCC(c2cnc(-c3ncco3)cn2)C1
InChIInChI=1S/C13H16N4O/c1-17-5-2-3-10(9-17)11-7-16-12(8-15-11)13-14-4-6-18-13/h4,6-8,10H,2-3,5,9H2,1H3
InChIKeyCTTZAPOGQDFNDA-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.94
Rot. Bonds2

About 2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole

2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole (PubChem CID 73439979) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole
PubChem CID73439979
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole
SMILESCN1CCCC(c2cnc(-c3ncco3)cn2)C1
InChIInChI=1S/C13H16N4O/c1-17-5-2-3-10(9-17)11-7-16-12(8-15-11)13-14-4-6-18-13/h4,6-8,10H,2-3,5,9H2,1H3
InChIKeyCTTZAPOGQDFNDA-UHFFFAOYSA-N
XLogP1.94
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole (CID 73439979) is 2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole is CN1CCCC(c2cnc(-c3ncco3)cn2)C1.
What is the InChIKey of 2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole?
The InChIKey is CTTZAPOGQDFNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-5-2-3-10(9-17)11-7-16-12(8-15-11)13-14-4-6-18-13/h4,6-8,10H,2-3,5,9H2,1H3.
What are the key properties of 2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole?
2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole has a molecular weight of 244.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole is sourced from PubChem (CID 73439979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).