2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole

C14H18N4O — CID 110131559

IUPAC2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
SMILESCN1CCCC(Cc2cncc(-c3ncco3)n2)C1
InChIInChI=1S/C14H18N4O/c1-18-5-2-3-11(10-18)7-12-8-15-9-13(17-12)14-16-4-6-19-14/h4,6,8-9,11H,2-3,5,7,10H2,1H3
InChIKeyAFBJBNIGFMZBBI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.02
Rot. Bonds3

About 2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole

2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole (PubChem CID 110131559) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
PubChem CID110131559
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
SMILESCN1CCCC(Cc2cncc(-c3ncco3)n2)C1
InChIInChI=1S/C14H18N4O/c1-18-5-2-3-11(10-18)7-12-8-15-9-13(17-12)14-16-4-6-19-14/h4,6,8-9,11H,2-3,5,7,10H2,1H3
InChIKeyAFBJBNIGFMZBBI-UHFFFAOYSA-N
XLogP2.02
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole (CID 110131559) is 2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole is CN1CCCC(Cc2cncc(-c3ncco3)n2)C1.
What is the InChIKey of 2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole?
The InChIKey is AFBJBNIGFMZBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-5-2-3-11(10-18)7-12-8-15-9-13(17-12)14-16-4-6-19-14/h4,6,8-9,11H,2-3,5,7,10H2,1H3.
What are the key properties of 2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole?
2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole has a molecular weight of 258.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole is sourced from PubChem (CID 110131559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).