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

C7H12N2O — CID 82418227

IUPAC2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine
SMILESCc1nc(C)c(CCN)o1
InChIInChI=1S/C7H12N2O/c1-5-7(3-4-8)10-6(2)9-5/h3-4,8H2,1-2H3
InChIKeyIOORFWYALJEFQH-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.79
Rot. Bonds2

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

2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine (PubChem CID 82418227) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine
PubChem CID82418227
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine
SMILESCc1nc(C)c(CCN)o1
InChIInChI=1S/C7H12N2O/c1-5-7(3-4-8)10-6(2)9-5/h3-4,8H2,1-2H3
InChIKeyIOORFWYALJEFQH-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine?
The IUPAC name of 2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine (CID 82418227) is 2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine is Cc1nc(C)c(CCN)o1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine?
The InChIKey is IOORFWYALJEFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-7(3-4-8)10-6(2)9-5/h3-4,8H2,1-2H3.
What are the key properties of 2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine?
2-(2,4-dimethyl-1,3-oxazol-5-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-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine is sourced from PubChem (CID 82418227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).