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

C9H14N2O — CID 83826909

IUPAC1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
SMILESCc1cc(CC(N)C2CC2)no1
InChIInChI=1S/C9H14N2O/c1-6-4-8(11-12-6)5-9(10)7-2-3-7/h4,7,9H,2-3,5,10H2,1H3
InChIKeyWABXNKBKBYDWJH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.26
Rot. Bonds3

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

1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine (PubChem CID 83826909) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
PubChem CID83826909
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
SMILESCc1cc(CC(N)C2CC2)no1
InChIInChI=1S/C9H14N2O/c1-6-4-8(11-12-6)5-9(10)7-2-3-7/h4,7,9H,2-3,5,10H2,1H3
InChIKeyWABXNKBKBYDWJH-UHFFFAOYSA-N
XLogP1.26
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine (CID 83826909) is 1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine is Cc1cc(CC(N)C2CC2)no1.
What is the InChIKey of 1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
The InChIKey is WABXNKBKBYDWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-4-8(11-12-6)5-9(10)7-2-3-7/h4,7,9H,2-3,5,10H2,1H3.
What are the key properties of 1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine has a molecular weight of 166.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 83826909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).