N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine

C8H14N2O — CID 68657090

IUPACN-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
SMILESCCNCCc1cc(C)on1
InChIInChI=1S/C8H14N2O/c1-3-9-5-4-8-6-7(2)11-10-8/h6,9H,3-5H2,1-2H3
InChIKeyGCROJHVFCGZHDU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.14
Rot. Bonds4

About N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine

N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine (PubChem CID 68657090) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
PubChem CID68657090
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
SMILESCCNCCc1cc(C)on1
InChIInChI=1S/C8H14N2O/c1-3-9-5-4-8-6-7(2)11-10-8/h6,9H,3-5H2,1-2H3
InChIKeyGCROJHVFCGZHDU-UHFFFAOYSA-N
XLogP1.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-5-(1-methyl-2(S)-pyrrolidinyl)isoxazole
CID 119380
(R)-3-Methyl-5-(1-methylpyrrolidin-2-yl)isoxazole
CID 9859069
3-ethyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 9989851
(S)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole
CID 10057702
3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 10103768
(R)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole
CID 10130056
(2S)-2-[3-Ethylisoxazol-5-yl]pyrrolidine
CID 10261449
(R)-3-Ethyl-5-(pyrrolidin-2-yl)isoxazole
CID 10352051
(3-Ethyl-1,2-oxazol-5-yl)methanamine
CID 6483891
[3-(Propan-2-yl)-1,2-oxazol-5-yl]methanamine
CID 6483898
ABT-418 hydrochloride
CID 10375597
3-Methyl-5-(pyrrolidin-2-yl)-1,2-oxazole
CID 15186065

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine (CID 68657090) is N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine is CCNCCc1cc(C)on1.
What is the InChIKey of N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
The InChIKey is GCROJHVFCGZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-9-5-4-8-6-7(2)11-10-8/h6,9H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine has a molecular weight of 154.21 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 68657090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).