1-(1,3-oxazol-2-yl)propan-1-one

C6H7NO2 — CID 16744375

IUPAC1-(1,3-oxazol-2-yl)propan-1-one
SMILESCCC(=O)c1ncco1
InChIInChI=1S/C6H7NO2/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3
InChIKeyUDFITZFJESBPIB-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.27
Rot. Bonds2

About 1-(1,3-oxazol-2-yl)propan-1-one

1-(1,3-oxazol-2-yl)propan-1-one (PubChem CID 16744375) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-(1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,3-oxazol-2-yl)propan-1-one
PubChem CID16744375
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name1-(1,3-oxazol-2-yl)propan-1-one
SMILESCCC(=O)c1ncco1
InChIInChI=1S/C6H7NO2/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3
InChIKeyUDFITZFJESBPIB-UHFFFAOYSA-N
XLogP1.27
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 1-(1,3-oxazol-2-yl)propan-1-one (CID 16744375) is 1-(1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 1-(1,3-oxazol-2-yl)propan-1-one is CCC(=O)c1ncco1.
What is the InChIKey of 1-(1,3-oxazol-2-yl)propan-1-one?
The InChIKey is UDFITZFJESBPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3.
What are the key properties of 1-(1,3-oxazol-2-yl)propan-1-one?
1-(1,3-oxazol-2-yl)propan-1-one has a molecular weight of 125.13 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 16744375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).