3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one

C8H12N2O3 — CID 82601925

IUPAC3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one
SMILESCOc1noc(C)c1C(=O)CCN
InChIInChI=1S/C8H12N2O3/c1-5-7(6(11)3-4-9)8(12-2)10-13-5/h3-4,9H2,1-2H3
InChIKeyGYRTUMXSRPKGGR-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.52
Rot. Bonds4

About 3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one

3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one (PubChem CID 82601925) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one
PubChem CID82601925
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one
SMILESCOc1noc(C)c1C(=O)CCN
InChIInChI=1S/C8H12N2O3/c1-5-7(6(11)3-4-9)8(12-2)10-13-5/h3-4,9H2,1-2H3
InChIKeyGYRTUMXSRPKGGR-UHFFFAOYSA-N
XLogP0.52
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one (CID 82601925) is 3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one is COc1noc(C)c1C(=O)CCN.
What is the InChIKey of 3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one?
The InChIKey is GYRTUMXSRPKGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-7(6(11)3-4-9)8(12-2)10-13-5/h3-4,9H2,1-2H3.
What are the key properties of 3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one?
3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one has a molecular weight of 184.19 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxy-5-methyl-1,2-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 82601925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).