N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine

C14H25N3O2 — CID 55074985

IUPACN-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCC(OC)CC2)on1
InChIInChI=1S/C14H25N3O2/c1-3-6-15-10-12-9-14(19-16-12)11-17-7-4-13(18-2)5-8-17/h9,13,15H,3-8,10-11H2,1-2H3
InChIKeyITDGRVLELYMTNW-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.78
Rot. Bonds7

About N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine

N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 55074985) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID55074985
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCC(OC)CC2)on1
InChIInChI=1S/C14H25N3O2/c1-3-6-15-10-12-9-14(19-16-12)11-17-7-4-13(18-2)5-8-17/h9,13,15H,3-8,10-11H2,1-2H3
InChIKeyITDGRVLELYMTNW-UHFFFAOYSA-N
XLogP1.78
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62420768
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62420584
N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63977574
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62438604
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine
CID 66191556
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 102967913
N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62973740
N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 63978153
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62438314
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]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 102968060
[5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62438397

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 55074985) is N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is CCCNCc1cc(CN2CCC(OC)CC2)on1.
What is the InChIKey of N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is ITDGRVLELYMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-6-15-10-12-9-14(19-16-12)11-17-7-4-13(18-2)5-8-17/h9,13,15H,3-8,10-11H2,1-2H3.
What are the key properties of N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55074985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).