N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine

C8H14N2O — CID 28780717

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
SMILESCCNCc1c(C)noc1C
InChIInChI=1S/C8H14N2O/c1-4-9-5-8-6(2)10-11-7(8)3/h9H,4-5H2,1-3H3
InChIKeyCIDVDFALBKHEFM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.40
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine (PubChem CID 28780717) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
PubChem CID28780717
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
SMILESCCNCc1c(C)noc1C
InChIInChI=1S/C8H14N2O/c1-4-9-5-8-6(2)10-11-7(8)3/h9H,4-5H2,1-3H3
InChIKeyCIDVDFALBKHEFM-UHFFFAOYSA-N
XLogP1.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide
CID 79241462
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43647767
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate
CID 60812133
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
CID 79241777
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylacetamide
CID 43214592
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine
CID 97047825
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide
CID 79241622
4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125172

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine (CID 28780717) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine is CCNCc1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine?
The InChIKey is CIDVDFALBKHEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-9-5-8-6(2)10-11-7(8)3/h9H,4-5H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine has a molecular weight of 154.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 28780717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).