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

C14H25N3O2 — CID 106589222

IUPACN-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(N2CCCC(COC)C2)n1
InChIInChI=1S/C14H25N3O2/c1-3-6-15-8-13-11-19-14(16-13)17-7-4-5-12(9-17)10-18-2/h11-12,15H,3-10H2,1-2H3
InChIKeyFFIACJLLRGUPPF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.04
Rot. Bonds7

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

N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 106589222) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID106589222
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(N2CCCC(COC)C2)n1
InChIInChI=1S/C14H25N3O2/c1-3-6-15-8-13-11-19-14(16-13)17-7-4-5-12(9-17)10-18-2/h11-12,15H,3-10H2,1-2H3
InChIKeyFFIACJLLRGUPPF-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 102967632
N-[[2-(3-methoxypyrrolidin-1-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 103539392
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 64597384
2-[3-(methoxymethyl)piperidin-1-yl]-N-propylcyclooctan-1-amine
CID 106586680
[2-(3-propoxypiperidin-1-yl)-1,3-oxazol-4-yl]methanol
CID 113377461
2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine
CID 106588987
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 106589331
N-[[5-[3-(methoxymethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106959508
N-[[5-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 64581795
N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 102967726
N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 113377755
N-methyl-1-[2-(4-methylsulfanylazepan-1-yl)-1,3-oxazol-4-yl]methanamine
CID 114238222

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 106589222) is N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1coc(N2CCCC(COC)C2)n1.
What is the InChIKey of N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is FFIACJLLRGUPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-6-15-8-13-11-19-14(16-13)17-7-4-5-12(9-17)10-18-2/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106589222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).