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

C14H23N5O — CID 63026882

IUPACN-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)Cc2nccn2C)on1
InChIInChI=1S/C14H23N5O/c1-4-5-15-9-12-8-13(20-17-12)10-18(2)11-14-16-6-7-19(14)3/h6-8,15H,4-5,9-11H2,1-3H3
InChIKeyMYFBUGPTZXSJMP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.54
Rot. Bonds8

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

N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 63026882) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID63026882
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)Cc2nccn2C)on1
InChIInChI=1S/C14H23N5O/c1-4-5-15-9-12-8-13(20-17-12)10-18(2)11-14-16-6-7-19(14)3/h6-8,15H,4-5,9-11H2,1-3H3
InChIKeyMYFBUGPTZXSJMP-UHFFFAOYSA-N
XLogP1.54
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 63026882) is N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is CCCNCc1cc(CN(C)Cc2nccn2C)on1.
What is the InChIKey of N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is MYFBUGPTZXSJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-4-5-15-9-12-8-13(20-17-12)10-18(2)11-14-16-6-7-19(14)3/h6-8,15H,4-5,9-11H2,1-3H3.
What are the key properties of N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63026882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).