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

C13H20N4O2 — CID 66188581

IUPACN-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1cc(COC)on1
InChIInChI=1S/C13H20N4O2/c1-3-4-14-8-13-15-5-6-17(13)9-11-7-12(10-18-2)19-16-11/h5-7,14H,3-4,8-10H2,1-2H3
InChIKeyDMSWDFZMPIPYFI-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.57
Rot. Bonds8

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

N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine (PubChem CID 66188581) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine
PubChem CID66188581
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1cc(COC)on1
InChIInChI=1S/C13H20N4O2/c1-3-4-14-8-13-15-5-6-17(13)9-11-7-12(10-18-2)19-16-11/h5-7,14H,3-4,8-10H2,1-2H3
InChIKeyDMSWDFZMPIPYFI-UHFFFAOYSA-N
XLogP1.57
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 82896241
N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 63984535
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine
CID 66157018
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048663
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine
CID 66191556
N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 62549303
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 62222165
N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073284
N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222849
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine (CID 66188581) is N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nccn1Cc1cc(COC)on1.
What is the InChIKey of N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is DMSWDFZMPIPYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-4-14-8-13-15-5-6-17(13)9-11-7-12(10-18-2)19-16-11/h5-7,14H,3-4,8-10H2,1-2H3.
What are the key properties of N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine?
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66188581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).