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

C12H14N2O2 — CID 121011580

IUPAC3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one
SMILESCCc1c(N)n(Cc2ccccc2)oc1=O
InChIInChI=1S/C12H14N2O2/c1-2-10-11(13)14(16-12(10)15)8-9-6-4-3-5-7-9/h3-7H,2,8,13H2,1H3
InChIKeyWXIAIPKPLHXDFC-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.63
Rot. Bonds3

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

3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one (PubChem CID 121011580) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one
PubChem CID121011580
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one
SMILESCCc1c(N)n(Cc2ccccc2)oc1=O
InChIInChI=1S/C12H14N2O2/c1-2-10-11(13)14(16-12(10)15)8-9-6-4-3-5-7-9/h3-7H,2,8,13H2,1H3
InChIKeyWXIAIPKPLHXDFC-UHFFFAOYSA-N
XLogP1.63
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one?
The IUPAC name of 3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one (CID 121011580) is 3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one.
What is the SMILES notation for 3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one?
The canonical SMILES for 3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one is CCc1c(N)n(Cc2ccccc2)oc1=O.
What is the InChIKey of 3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one?
The InChIKey is WXIAIPKPLHXDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-10-11(13)14(16-12(10)15)8-9-6-4-3-5-7-9/h3-7H,2,8,13H2,1H3.
What are the key properties of 3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one?
3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one has a molecular weight of 218.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-benzyl-4-ethyl-1,2-oxazol-5-one is sourced from PubChem (CID 121011580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).