N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine

C20H30N4O — CID 71919244

IUPACN-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine
SMILESCCc1cc(CNCc2ccccc2N(C)C2CCN(C)CC2)on1
InChIInChI=1S/C20H30N4O/c1-4-17-13-19(25-22-17)15-21-14-16-7-5-6-8-20(16)24(3)18-9-11-23(2)12-10-18/h5-8,13,18,21H,4,9-12,14-15H2,1-3H3
InChIKeyZLLJUYQOBLNJIY-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.06
Rot. Bonds7

About N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine

N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 71919244) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine
PubChem CID71919244
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine
SMILESCCc1cc(CNCc2ccccc2N(C)C2CCN(C)CC2)on1
InChIInChI=1S/C20H30N4O/c1-4-17-13-19(25-22-17)15-21-14-16-7-5-6-8-20(16)24(3)18-9-11-23(2)12-10-18/h5-8,13,18,21H,4,9-12,14-15H2,1-3H3
InChIKeyZLLJUYQOBLNJIY-UHFFFAOYSA-N
XLogP3.06
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine (CID 71919244) is N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine is CCc1cc(CNCc2ccccc2N(C)C2CCN(C)CC2)on1.
What is the InChIKey of N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is ZLLJUYQOBLNJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-4-17-13-19(25-22-17)15-21-14-16-7-5-6-8-20(16)24(3)18-9-11-23(2)12-10-18/h5-8,13,18,21H,4,9-12,14-15H2,1-3H3.
What are the key properties of N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 71919244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).