1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine

C12H21N3O — CID 115085427

IUPAC1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine
SMILESCC(N)c1cnc(CC2CCN(C)CC2)o1
InChIInChI=1S/C12H21N3O/c1-9(13)11-8-14-12(16-11)7-10-3-5-15(2)6-4-10/h8-10H,3-7,13H2,1-2H3
InChIKeyFUANUYCOPGQGQL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.58
Rot. Bonds3

About 1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine

1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine (PubChem CID 115085427) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine
PubChem CID115085427
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine
SMILESCC(N)c1cnc(CC2CCN(C)CC2)o1
InChIInChI=1S/C12H21N3O/c1-9(13)11-8-14-12(16-11)7-10-3-5-15(2)6-4-10/h8-10H,3-7,13H2,1-2H3
InChIKeyFUANUYCOPGQGQL-UHFFFAOYSA-N
XLogP1.58
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine (CID 115085427) is 1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine is CC(N)c1cnc(CC2CCN(C)CC2)o1.
What is the InChIKey of 1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine?
The InChIKey is FUANUYCOPGQGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(13)11-8-14-12(16-11)7-10-3-5-15(2)6-4-10/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine?
1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 115085427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).