N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

C14H25N3O — CID 62417960

IUPACN-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCCCC2CC)on1
InChIInChI=1S/C14H25N3O/c1-3-13-7-5-6-8-17(13)11-14-9-12(16-18-14)10-15-4-2/h9,13,15H,3-8,10-11H2,1-2H3
InChIKeyDGOQDUVUANWXJH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.55
Rot. Bonds6

About N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62417960) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62417960
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCCCC2CC)on1
InChIInChI=1S/C14H25N3O/c1-3-13-7-5-6-8-17(13)11-14-9-12(16-18-14)10-15-4-2/h9,13,15H,3-8,10-11H2,1-2H3
InChIKeyDGOQDUVUANWXJH-UHFFFAOYSA-N
XLogP2.55
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074345
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62438604
1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62438602
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070248
5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397898
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569876
N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 55074366
N-[[5-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 83062404
N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 79312573
5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 83056535
N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102769477
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62889225

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 62417960) is N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(CN2CCCCC2CC)on1.
What is the InChIKey of N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is DGOQDUVUANWXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-13-7-5-6-8-17(13)11-14-9-12(16-18-14)10-15-4-2/h9,13,15H,3-8,10-11H2,1-2H3.
What are the key properties of N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62417960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).