1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine

C11H16N4O — CID 106377508

IUPAC1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
SMILESCCc1cnc(Cn2cncc2C(C)N)o1
InChIInChI=1S/C11H16N4O/c1-3-9-4-14-11(16-9)6-15-7-13-5-10(15)8(2)12/h4-5,7-8H,3,6,12H2,1-2H3
InChIKeyIRAQGQAPYOVPRB-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.50
Rot. Bonds4

About 1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine

1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine (PubChem CID 106377508) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
PubChem CID106377508
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
SMILESCCc1cnc(Cn2cncc2C(C)N)o1
InChIInChI=1S/C11H16N4O/c1-3-9-4-14-11(16-9)6-15-7-13-5-10(15)8(2)12/h4-5,7-8H,3,6,12H2,1-2H3
InChIKeyIRAQGQAPYOVPRB-UHFFFAOYSA-N
XLogP1.50
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377515
2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377472
(1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 106377532
5-ethyl-2-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377497
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 114180990
3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione
CID 106374484
(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 104943054
(1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
CID 104943360
1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
CID 114706579
(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104942425

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine (CID 106377508) is 1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine is CCc1cnc(Cn2cncc2C(C)N)o1.
What is the InChIKey of 1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is IRAQGQAPYOVPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-9-4-14-11(16-9)6-15-7-13-5-10(15)8(2)12/h4-5,7-8H,3,6,12H2,1-2H3.
What are the key properties of 1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine?
1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 106377508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).