N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine

C16H29N3O2 — CID 62413499

IUPACN-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCOC1CCCN(Cc2cc(CNC(C)(C)C)no2)C1
InChIInChI=1S/C16H29N3O2/c1-5-20-14-7-6-8-19(11-14)12-15-9-13(18-21-15)10-17-16(2,3)4/h9,14,17H,5-8,10-12H2,1-4H3
InChIKeyZHZPRSAOBKCOTI-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.56
Rot. Bonds6

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

N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62413499) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62413499
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCOC1CCCN(Cc2cc(CNC(C)(C)C)no2)C1
InChIInChI=1S/C16H29N3O2/c1-5-20-14-7-6-8-19(11-14)12-15-9-13(18-21-15)10-17-16(2,3)4/h9,14,17H,5-8,10-12H2,1-4H3
InChIKeyZHZPRSAOBKCOTI-UHFFFAOYSA-N
XLogP2.56
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[5-[(3-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 102968060
2-methyl-N-[[5-[(3-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62439446
N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107555416
N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62439087
N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62420768
N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 64581399
N-[[5-[(3-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 102968147
N-[[5-[(3-methoxypiperidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 102968121
[5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 62411388
N-[3-(3-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 55071185
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
5-[(3-ethoxypiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056225

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine (CID 62413499) is N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine is CCOC1CCCN(Cc2cc(CNC(C)(C)C)no2)C1.
What is the InChIKey of N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZHZPRSAOBKCOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-20-14-7-6-8-19(11-14)12-15-9-13(18-21-15)10-17-16(2,3)4/h9,14,17H,5-8,10-12H2,1-4H3.
What are the key properties of N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62413499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).