2-amino-1-(1,3-oxazol-2-yl)butan-1-one

C7H10N2O2 — CID 22179921

IUPAC2-amino-1-(1,3-oxazol-2-yl)butan-1-one
SMILESCCC(N)C(=O)c1ncco1
InChIInChI=1S/C7H10N2O2/c1-2-5(8)6(10)7-9-3-4-11-7/h3-5H,2,8H2,1H3
InChIKeyQXLOFOSUASFEQM-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.59
Rot. Bonds3

About 2-amino-1-(1,3-oxazol-2-yl)butan-1-one

2-amino-1-(1,3-oxazol-2-yl)butan-1-one (PubChem CID 22179921) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-amino-1-(1,3-oxazol-2-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-1-(1,3-oxazol-2-yl)butan-1-one
PubChem CID22179921
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-amino-1-(1,3-oxazol-2-yl)butan-1-one
SMILESCCC(N)C(=O)c1ncco1
InChIInChI=1S/C7H10N2O2/c1-2-5(8)6(10)7-9-3-4-11-7/h3-5H,2,8H2,1H3
InChIKeyQXLOFOSUASFEQM-UHFFFAOYSA-N
XLogP0.59
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-oxazol-2-yl)butan-1-one?
The IUPAC name of 2-amino-1-(1,3-oxazol-2-yl)butan-1-one (CID 22179921) is 2-amino-1-(1,3-oxazol-2-yl)butan-1-one.
What is the SMILES notation for 2-amino-1-(1,3-oxazol-2-yl)butan-1-one?
The canonical SMILES for 2-amino-1-(1,3-oxazol-2-yl)butan-1-one is CCC(N)C(=O)c1ncco1.
What is the InChIKey of 2-amino-1-(1,3-oxazol-2-yl)butan-1-one?
The InChIKey is QXLOFOSUASFEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-5(8)6(10)7-9-3-4-11-7/h3-5H,2,8H2,1H3.
What are the key properties of 2-amino-1-(1,3-oxazol-2-yl)butan-1-one?
2-amino-1-(1,3-oxazol-2-yl)butan-1-one has a molecular weight of 154.17 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-oxazol-2-yl)butan-1-one is sourced from PubChem (CID 22179921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).