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

C14H25N3O2 — CID 102967632

IUPACN-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(N2CCC(C)C(OC)C2)n1
InChIInChI=1S/C14H25N3O2/c1-4-6-15-8-12-10-19-14(16-12)17-7-5-11(2)13(9-17)18-3/h10-11,13,15H,4-9H2,1-3H3
InChIKeyTWFKTXTXSSPKRI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.04
Rot. Bonds6

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

N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 102967632) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID102967632
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(N2CCC(C)C(OC)C2)n1
InChIInChI=1S/C14H25N3O2/c1-4-6-15-8-12-10-19-14(16-12)17-7-5-11(2)13(9-17)18-3/h10-11,13,15H,4-9H2,1-3H3
InChIKeyTWFKTXTXSSPKRI-UHFFFAOYSA-N
XLogP2.04
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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'}

Analyze N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-[3-(methoxymethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 106589222
N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 102967586
N-[[2-(3-methoxypyrrolidin-1-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 103539392
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968411
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 102967713
N-[[4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968519
N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 102967645
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 102965460
N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
CID 103503007
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 102967917
N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 113377755
N-[[5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967372

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 102967632) is N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1coc(N2CCC(C)C(OC)C2)n1.
What is the InChIKey of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is TWFKTXTXSSPKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-6-15-8-12-10-19-14(16-12)17-7-5-11(2)13(9-17)18-3/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 102967632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).