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

C6H12N2O — CID 105427376

IUPAC2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine
SMILESCC1=NOC(CCN)C1
InChIInChI=1S/C6H12N2O/c1-5-4-6(2-3-7)9-8-5/h6H,2-4,7H2,1H3
InChIKeyGAXCXYKJWKGWBP-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.50
Rot. Bonds2

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

2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine (PubChem CID 105427376) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine
PubChem CID105427376
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine
SMILESCC1=NOC(CCN)C1
InChIInChI=1S/C6H12N2O/c1-5-4-6(2-3-7)9-8-5/h6H,2-4,7H2,1H3
InChIKeyGAXCXYKJWKGWBP-UHFFFAOYSA-N
XLogP0.50
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine?
The IUPAC name of 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine (CID 105427376) is 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine is CC1=NOC(CCN)C1.
What is the InChIKey of 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine?
The InChIKey is GAXCXYKJWKGWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-4-6(2-3-7)9-8-5/h6H,2-4,7H2,1H3.
What are the key properties of 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine?
2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine has a molecular weight of 128.17 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine is sourced from PubChem (CID 105427376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).