1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one

C10H14N2O3 — CID 118121067

IUPAC1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one
SMILESCO/C(N)=C(\C)c1conc1CC(C)=O
InChIInChI=1S/C10H14N2O3/c1-6(13)4-9-8(5-15-12-9)7(2)10(11)14-3/h5H,4,11H2,1-3H3/b10-7+
InChIKeyXKOBMQUALVCONX-JXMROGBWSA-N
MW210.23 g/mol
LogP1.10
Rot. Bonds4

About 1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one

1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one (PubChem CID 118121067) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one
PubChem CID118121067
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one
SMILESCO/C(N)=C(\C)c1conc1CC(C)=O
InChIInChI=1S/C10H14N2O3/c1-6(13)4-9-8(5-15-12-9)7(2)10(11)14-3/h5H,4,11H2,1-3H3/b10-7+
InChIKeyXKOBMQUALVCONX-JXMROGBWSA-N
XLogP1.10
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one?
The IUPAC name of 1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one (CID 118121067) is 1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one?
The canonical SMILES for 1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one is CO/C(N)=C(\C)c1conc1CC(C)=O.
What is the InChIKey of 1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one?
The InChIKey is XKOBMQUALVCONX-JXMROGBWSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(13)4-9-8(5-15-12-9)7(2)10(11)14-3/h5H,4,11H2,1-3H3/b10-7+.
What are the key properties of 1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one?
1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-1-amino-1-methoxyprop-1-en-2-yl]-1,2-oxazol-3-yl]propan-2-one is sourced from PubChem (CID 118121067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).