2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine

C7H12N2O — CID 2758570

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1noc(C)c1CCN
InChIInChI=1S/C7H12N2O/c1-5-7(3-4-8)6(2)10-9-5/h3-4,8H2,1-2H3
InChIKeyHOJDTRKLAOLNIT-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.79
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine

2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (PubChem CID 2758570) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
PubChem CID2758570
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1noc(C)c1CCN
InChIInChI=1S/C7H12N2O/c1-5-7(3-4-8)6(2)10-9-5/h3-4,8H2,1-2H3
InChIKeyHOJDTRKLAOLNIT-UHFFFAOYSA-N
XLogP0.79
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-Trimethylisoxazole
CID 25375
1-(5-Methyl-1,2-oxazol-3-yl)methanamine
CID 2776306
4-Ethynyl-3,5-dimethyl-1,2-oxazole
CID 53426609
3,5-Dimethylisoxazole-4-carbonitrile
CID 2776140
(Dimethyl-1,2-oxazol-4-yl)methanamine
CID 11018874
2-(Dimethyl-1,2-oxazol-4-yl)acetonitrile
CID 13792858
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl carbamimidoselenoate;hydrochloride
CID 127031360
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl selenocyanate
CID 134153821
4-Isoxazolemethanamine, 3,5-diethyl-
CID 71755768
4-(Bromomethyl)-3,5-dimethyl-1,2-oxazole
CID 12793289
3-(Dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 16394817
alpha,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006348

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (CID 2758570) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is Cc1noc(C)c1CCN.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The InChIKey is HOJDTRKLAOLNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-7(3-4-8)6(2)10-9-5/h3-4,8H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine has a molecular weight of 140.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is sourced from PubChem (CID 2758570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).