2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol

C8H14N2O2 — CID 28833064

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
SMILESCc1noc(C)c1CNCCO
InChIInChI=1S/C8H14N2O2/c1-6-8(5-9-3-4-11)7(2)12-10-6/h9,11H,3-5H2,1-2H3
InChIKeyZWRKDWQAYCECEQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.37
Rot. Bonds4

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol (PubChem CID 28833064) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
PubChem CID28833064
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
SMILESCc1noc(C)c1CNCCO
InChIInChI=1S/C8H14N2O2/c1-6-8(5-9-3-4-11)7(2)12-10-6/h9,11H,3-5H2,1-2H3
InChIKeyZWRKDWQAYCECEQ-UHFFFAOYSA-N
XLogP0.37
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 103718793
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 111470652
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
CID 83111738
(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-methylsulfonylethanamine
CID 60920492
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide
CID 79241462
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol
CID 28781690
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylacetamide
CID 43214592
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 28780886

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol (CID 28833064) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol is Cc1noc(C)c1CNCCO.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol?
The InChIKey is ZWRKDWQAYCECEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6-8(5-9-3-4-11)7(2)12-10-6/h9,11H,3-5H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol has a molecular weight of 170.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 28833064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).