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

C6H10N2O2 — CID 15724063

IUPAC4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one
SMILESCCC1(N)C(=O)ON=C1C
InChIInChI=1S/C6H10N2O2/c1-3-6(7)4(2)8-10-5(6)9/h3,7H2,1-2H3
InChIKeyLLCWQKCFAZTELN-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.03
Rot. Bonds1

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

4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one (PubChem CID 15724063) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one
PubChem CID15724063
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one
SMILESCCC1(N)C(=O)ON=C1C
InChIInChI=1S/C6H10N2O2/c1-3-6(7)4(2)8-10-5(6)9/h3,7H2,1-2H3
InChIKeyLLCWQKCFAZTELN-UHFFFAOYSA-N
XLogP0.03
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one?
The IUPAC name of 4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one (CID 15724063) is 4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one.
What is the SMILES notation for 4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one?
The canonical SMILES for 4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one is CCC1(N)C(=O)ON=C1C.
What is the InChIKey of 4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one?
The InChIKey is LLCWQKCFAZTELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-6(7)4(2)8-10-5(6)9/h3,7H2,1-2H3.
What are the key properties of 4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one?
4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one has a molecular weight of 142.16 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-ethyl-3-methyl-1,2-oxazol-5-one is sourced from PubChem (CID 15724063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).