3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine

C8H14N2O — CID 82416594

IUPAC3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine
SMILESCc1oncc1C(C)CCN
InChIInChI=1S/C8H14N2O/c1-6(3-4-9)8-5-10-11-7(8)2/h5-6H,3-4,9H2,1-2H3
InChIKeyXUGSJRMVJPJWCA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds3

About 3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine

3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine (PubChem CID 82416594) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine
PubChem CID82416594
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine
SMILESCc1oncc1C(C)CCN
InChIInChI=1S/C8H14N2O/c1-6(3-4-9)8-5-10-11-7(8)2/h5-6H,3-4,9H2,1-2H3
InChIKeyXUGSJRMVJPJWCA-UHFFFAOYSA-N
XLogP1.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine?
The IUPAC name of 3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine (CID 82416594) is 3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine.
What is the SMILES notation for 3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine?
The canonical SMILES for 3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine is Cc1oncc1C(C)CCN.
What is the InChIKey of 3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine?
The InChIKey is XUGSJRMVJPJWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(3-4-9)8-5-10-11-7(8)2/h5-6H,3-4,9H2,1-2H3.
What are the key properties of 3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine?
3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine has a molecular weight of 154.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2-oxazol-4-yl)butan-1-amine is sourced from PubChem (CID 82416594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).