N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine

C11H16N4O — CID 62222849

IUPACN-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1cc(C)no1
InChIInChI=1S/C11H16N4O/c1-3-12-7-11-13-4-5-15(11)8-10-6-9(2)14-16-10/h4-6,12H,3,7-8H2,1-2H3
InChIKeyFRGBOSPUPGWWOI-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.34
Rot. Bonds5

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

N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 62222849) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID62222849
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1cc(C)no1
InChIInChI=1S/C11H16N4O/c1-3-12-7-11-13-4-5-15(11)8-10-6-9(2)14-16-10/h4-6,12H,3,7-8H2,1-2H3
InChIKeyFRGBOSPUPGWWOI-UHFFFAOYSA-N
XLogP1.34
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine (CID 62222849) is N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1Cc1cc(C)no1.
What is the InChIKey of N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is FRGBOSPUPGWWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-12-7-11-13-4-5-15(11)8-10-6-9(2)14-16-10/h4-6,12H,3,7-8H2,1-2H3.
What are the key properties of N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine?
N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62222849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).