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

C14H25N3O — CID 115082563

IUPACN-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
SMILESCNCCCc1coc(CC2CCN(C)CC2)n1
InChIInChI=1S/C14H25N3O/c1-15-7-3-4-13-11-18-14(16-13)10-12-5-8-17(2)9-6-12/h11-12,15H,3-10H2,1-2H3
InChIKeyVQTUARSDWCCBTB-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.71
Rot. Bonds6

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

N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115082563) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115082563
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
SMILESCNCCCc1coc(CC2CCN(C)CC2)n1
InChIInChI=1S/C14H25N3O/c1-15-7-3-4-13-11-18-14(16-13)10-12-5-8-17(2)9-6-12/h11-12,15H,3-10H2,1-2H3
InChIKeyVQTUARSDWCCBTB-UHFFFAOYSA-N
XLogP1.71
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine (CID 115082563) is N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine is CNCCCc1coc(CC2CCN(C)CC2)n1.
What is the InChIKey of N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is VQTUARSDWCCBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-15-7-3-4-13-11-18-14(16-13)10-12-5-8-17(2)9-6-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115082563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).