N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine

C13H18N4O2 — CID 106719785

IUPACN-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCOCc1cc(Cn2cnc(CNC3CC3)c2)no1
InChIInChI=1S/C13H18N4O2/c1-18-8-13-4-11(16-19-13)6-17-7-12(15-9-17)5-14-10-2-3-10/h4,7,9-10,14H,2-3,5-6,8H2,1H3
InChIKeyVGNCAVGDFXHQJU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.32
Rot. Bonds7

About N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 106719785) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID106719785
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCOCc1cc(Cn2cnc(CNC3CC3)c2)no1
InChIInChI=1S/C13H18N4O2/c1-18-8-13-4-11(16-19-13)6-17-7-12(15-9-17)5-14-10-2-3-10/h4,7,9-10,14H,2-3,5-6,8H2,1H3
InChIKeyVGNCAVGDFXHQJU-UHFFFAOYSA-N
XLogP1.32
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783252
N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62440537
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 103180982
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
CID 117191740
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719934
N-[[1-(2,2,2-trifluoroethoxymethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719983
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719982
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine
CID 66189164
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine (CID 106719785) is N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine is COCc1cc(Cn2cnc(CNC3CC3)c2)no1.
What is the InChIKey of N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is VGNCAVGDFXHQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-18-8-13-4-11(16-19-13)6-17-7-12(15-9-17)5-14-10-2-3-10/h4,7,9-10,14H,2-3,5-6,8H2,1H3.
What are the key properties of N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 262.31 g/mol, XLogP of 1.32, 7 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-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106719785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).