1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one

C8H13NO3 — CID 58965113

IUPAC1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one
SMILESCC(=O)COCC1CC(C)=NO1
InChIInChI=1S/C8H13NO3/c1-6-3-8(12-9-6)5-11-4-7(2)10/h8H,3-5H2,1-2H3
InChIKeyUFPZACXSQYZPBB-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.76
Rot. Bonds4

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

1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one (PubChem CID 58965113) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one.

Molecular Properties

Compound Name1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one
PubChem CID58965113
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one
SMILESCC(=O)COCC1CC(C)=NO1
InChIInChI=1S/C8H13NO3/c1-6-3-8(12-9-6)5-11-4-7(2)10/h8H,3-5H2,1-2H3
InChIKeyUFPZACXSQYZPBB-UHFFFAOYSA-N
XLogP0.76
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]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-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one?
The IUPAC name of 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one (CID 58965113) is 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one.
What is the SMILES notation for 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one?
The canonical SMILES for 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one is CC(=O)COCC1CC(C)=NO1.
What is the InChIKey of 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one?
The InChIKey is UFPZACXSQYZPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6-3-8(12-9-6)5-11-4-7(2)10/h8H,3-5H2,1-2H3.
What are the key properties of 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one?
1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one is sourced from PubChem (CID 58965113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).