N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine

C13H23N3O — CID 114596926

IUPACN-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1coc(N2CC(C)CC(C)C2C)n1
InChIInChI=1S/C13H23N3O/c1-9-5-10(2)11(3)16(7-9)13-15-12(6-14-4)8-17-13/h8-11,14H,5-7H2,1-4H3
InChIKeyHXQQOZOHCQAXJP-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.26
Rot. Bonds3

About N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine

N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 114596926) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID114596926
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1coc(N2CC(C)CC(C)C2C)n1
InChIInChI=1S/C13H23N3O/c1-9-5-10(2)11(3)16(7-9)13-15-12(6-14-4)8-17-13/h8-11,14H,5-7H2,1-4H3
InChIKeyHXQQOZOHCQAXJP-UHFFFAOYSA-N
XLogP2.26
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine (CID 114596926) is N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine is CNCc1coc(N2CC(C)CC(C)C2C)n1.
What is the InChIKey of N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is HXQQOZOHCQAXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-5-10(2)11(3)16(7-9)13-15-12(6-14-4)8-17-13/h8-11,14H,5-7H2,1-4H3.
What are the key properties of N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine?
N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 114596926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).