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

C6H10N2O — CID 28808461

IUPAC2-(5-methyl-1,2-oxazol-3-yl)ethanamine
SMILESCc1cc(CCN)no1
InChIInChI=1S/C6H10N2O/c1-5-4-6(2-3-7)8-9-5/h4H,2-3,7H2,1H3
InChIKeyHBDLQCGZQMJSNW-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.48
Rot. Bonds2

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

2-(5-methyl-1,2-oxazol-3-yl)ethanamine (PubChem CID 28808461) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)ethanamine
PubChem CID28808461
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)ethanamine
SMILESCc1cc(CCN)no1
InChIInChI=1S/C6H10N2O/c1-5-4-6(2-3-7)8-9-5/h4H,2-3,7H2,1H3
InChIKeyHBDLQCGZQMJSNW-UHFFFAOYSA-N
XLogP0.48
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methylisoxazol-5-yl)methanamine
CID 16481072
(S)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole
CID 10057702
(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
1-(5-Methyl-1,2-oxazol-3-yl)methanamine
CID 2776306
3-Propyl-1,2-oxazol-5-amine
CID 2104061
(3-Ethyl-1,2-oxazol-5-yl)methanamine
CID 6483891
[3-(Propan-2-yl)-1,2-oxazol-5-yl]methanamine
CID 6483898
3-Methyl-5-(pyrrolidin-2-yl)-1,2-oxazole
CID 15186065
3-Ethyl-1,2-oxazol-5-amine
CID 10866295
N-Methyl-3-(1-methylethyl)-5-isoxazolemethanamine
CID 25220772

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)ethanamine (CID 28808461) is 2-(5-methyl-1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)ethanamine is Cc1cc(CCN)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
The InChIKey is HBDLQCGZQMJSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-4-6(2-3-7)8-9-5/h4H,2-3,7H2,1H3.
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
2-(5-methyl-1,2-oxazol-3-yl)ethanamine has a molecular weight of 126.16 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 28808461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).