2-amino-5-butyl-5-methyl-1,3-oxazol-4-one

C8H14N2O2 — CID 131091998

IUPAC2-amino-5-butyl-5-methyl-1,3-oxazol-4-one
SMILESCCCCC1(C)OC(N)=NC1=O
InChIInChI=1S/C8H14N2O2/c1-3-4-5-8(2)6(11)10-7(9)12-8/h3-5H2,1-2H3,(H2,9,10,11)
InChIKeyKCJSQUFLVIFORA-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.81
Rot. Bonds3

About 2-amino-5-butyl-5-methyl-1,3-oxazol-4-one

2-amino-5-butyl-5-methyl-1,3-oxazol-4-one (PubChem CID 131091998) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-amino-5-butyl-5-methyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-amino-5-butyl-5-methyl-1,3-oxazol-4-one
PubChem CID131091998
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-amino-5-butyl-5-methyl-1,3-oxazol-4-one
SMILESCCCCC1(C)OC(N)=NC1=O
InChIInChI=1S/C8H14N2O2/c1-3-4-5-8(2)6(11)10-7(9)12-8/h3-5H2,1-2H3,(H2,9,10,11)
InChIKeyKCJSQUFLVIFORA-UHFFFAOYSA-N
XLogP0.81
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butyl-5-methyl-1,3-oxazol-4-one?
The IUPAC name of 2-amino-5-butyl-5-methyl-1,3-oxazol-4-one (CID 131091998) is 2-amino-5-butyl-5-methyl-1,3-oxazol-4-one.
What is the SMILES notation for 2-amino-5-butyl-5-methyl-1,3-oxazol-4-one?
The canonical SMILES for 2-amino-5-butyl-5-methyl-1,3-oxazol-4-one is CCCCC1(C)OC(N)=NC1=O.
What is the InChIKey of 2-amino-5-butyl-5-methyl-1,3-oxazol-4-one?
The InChIKey is KCJSQUFLVIFORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-4-5-8(2)6(11)10-7(9)12-8/h3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-amino-5-butyl-5-methyl-1,3-oxazol-4-one?
2-amino-5-butyl-5-methyl-1,3-oxazol-4-one has a molecular weight of 170.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butyl-5-methyl-1,3-oxazol-4-one is sourced from PubChem (CID 131091998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).