3-butyl-4-methyl-1,2-oxazol-5-amine

C8H14N2O — CID 43158322

IUPAC3-butyl-4-methyl-1,2-oxazol-5-amine
SMILESCCCCc1noc(N)c1C
InChIInChI=1S/C8H14N2O/c1-3-4-5-7-6(2)8(9)11-10-7/h3-5,9H2,1-2H3
InChIKeySOZOQJZAKKFSGK-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds3

About 3-butyl-4-methyl-1,2-oxazol-5-amine

3-butyl-4-methyl-1,2-oxazol-5-amine (PubChem CID 43158322) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-butyl-4-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-butyl-4-methyl-1,2-oxazol-5-amine
PubChem CID43158322
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-butyl-4-methyl-1,2-oxazol-5-amine
SMILESCCCCc1noc(N)c1C
InChIInChI=1S/C8H14N2O/c1-3-4-5-7-6(2)8(9)11-10-7/h3-5,9H2,1-2H3
InChIKeySOZOQJZAKKFSGK-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-methyl-1,2-oxazol-5-amine?
The IUPAC name of 3-butyl-4-methyl-1,2-oxazol-5-amine (CID 43158322) is 3-butyl-4-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-butyl-4-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-butyl-4-methyl-1,2-oxazol-5-amine is CCCCc1noc(N)c1C.
What is the InChIKey of 3-butyl-4-methyl-1,2-oxazol-5-amine?
The InChIKey is SOZOQJZAKKFSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-5-7-6(2)8(9)11-10-7/h3-5,9H2,1-2H3.
What are the key properties of 3-butyl-4-methyl-1,2-oxazol-5-amine?
3-butyl-4-methyl-1,2-oxazol-5-amine has a molecular weight of 154.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43158322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).