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

C15H27N3O — CID 55074345

IUPACN-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCC1CCCCN1Cc1cc(CNC(C)C)no1
InChIInChI=1S/C15H27N3O/c1-4-14-7-5-6-8-18(14)11-15-9-13(17-19-15)10-16-12(2)3/h9,12,14,16H,4-8,10-11H2,1-3H3
InChIKeyPPKKTEQAHIJDFM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.94
Rot. Bonds6

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

N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 55074345) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID55074345
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCC1CCCCN1Cc1cc(CNC(C)C)no1
InChIInChI=1S/C15H27N3O/c1-4-14-7-5-6-8-18(14)11-15-9-13(17-19-15)10-16-12(2)3/h9,12,14,16H,4-8,10-11H2,1-3H3
InChIKeyPPKKTEQAHIJDFM-UHFFFAOYSA-N
XLogP2.94
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.94
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]ethanamine
CID 62417960
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62889225
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
N-[[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62438242
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62438604
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62420838
N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62461591
N-[[5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62437894
N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 104692369
5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397898
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62422888

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 55074345) is N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is CCC1CCCCN1Cc1cc(CNC(C)C)no1.
What is the InChIKey of N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is PPKKTEQAHIJDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-14-7-5-6-8-18(14)11-15-9-13(17-19-15)10-16-12(2)3/h9,12,14,16H,4-8,10-11H2,1-3H3.
What are the key properties of N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.94, 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]propan-2-amine is sourced from PubChem (CID 55074345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).