3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one

C8H12N2O2 — CID 59493413

IUPAC3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one
SMILESCC(=O)C(C)Nc1ncc(C)o1
InChIInChI=1S/C8H12N2O2/c1-5-4-9-8(12-5)10-6(2)7(3)11/h4,6H,1-3H3,(H,9,10)
InChIKeyJMPXOTBECFWHET-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.37
Rot. Bonds3

About 3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one

3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one (PubChem CID 59493413) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one.

Molecular Properties

Compound Name3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one
PubChem CID59493413
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one
SMILESCC(=O)C(C)Nc1ncc(C)o1
InChIInChI=1S/C8H12N2O2/c1-5-4-9-8(12-5)10-6(2)7(3)11/h4,6H,1-3H3,(H,9,10)
InChIKeyJMPXOTBECFWHET-UHFFFAOYSA-N
XLogP1.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one?
The IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one (CID 59493413) is 3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one.
What is the SMILES notation for 3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one?
The canonical SMILES for 3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one is CC(=O)C(C)Nc1ncc(C)o1.
What is the InChIKey of 3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one?
The InChIKey is JMPXOTBECFWHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-4-9-8(12-5)10-6(2)7(3)11/h4,6H,1-3H3,(H,9,10).
What are the key properties of 3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one?
3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one has a molecular weight of 168.20 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3-oxazol-2-yl)amino]butan-2-one is sourced from PubChem (CID 59493413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).