1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone

C12H13NO3 — CID 134130258

IUPAC1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2=NCCO2)cc1
InChIInChI=1S/C12H13NO3/c1-9(14)10-2-4-11(5-3-10)16-8-12-13-6-7-15-12/h2-5H,6-8H2,1H3
InChIKeyNQRUJARXUDCLNX-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.70
Rot. Bonds4

About 1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone

1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone (PubChem CID 134130258) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone
PubChem CID134130258
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2=NCCO2)cc1
InChIInChI=1S/C12H13NO3/c1-9(14)10-2-4-11(5-3-10)16-8-12-13-6-7-15-12/h2-5H,6-8H2,1H3
InChIKeyNQRUJARXUDCLNX-UHFFFAOYSA-N
XLogP1.70
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone 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-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone (CID 134130258) is 1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone is CC(=O)c1ccc(OCC2=NCCO2)cc1.
What is the InChIKey of 1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone?
The InChIKey is NQRUJARXUDCLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-9(14)10-2-4-11(5-3-10)16-8-12-13-6-7-15-12/h2-5H,6-8H2,1H3.
What are the key properties of 1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone?
1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone has a molecular weight of 219.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 134130258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).