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

C7H9NO2 — CID 53403015

IUPAC1-(5-methyl-1,2-oxazol-3-yl)propan-1-one
SMILESCCC(=O)c1cc(C)on1
InChIInChI=1S/C7H9NO2/c1-3-7(9)6-4-5(2)10-8-6/h4H,3H2,1-2H3
InChIKeyHTTOWFIYAYYAQD-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.58
Rot. Bonds2

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

1-(5-methyl-1,2-oxazol-3-yl)propan-1-one (PubChem CID 53403015) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)propan-1-one
PubChem CID53403015
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)propan-1-one
SMILESCCC(=O)c1cc(C)on1
InChIInChI=1S/C7H9NO2/c1-3-7(9)6-4-5(2)10-8-6/h4H,3H2,1-2H3
InChIKeyHTTOWFIYAYYAQD-UHFFFAOYSA-N
XLogP1.58
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)propan-1-one?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)propan-1-one (CID 53403015) is 1-(5-methyl-1,2-oxazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)propan-1-one?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)propan-1-one is CCC(=O)c1cc(C)on1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)propan-1-one?
The InChIKey is HTTOWFIYAYYAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-7(9)6-4-5(2)10-8-6/h4H,3H2,1-2H3.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)propan-1-one?
1-(5-methyl-1,2-oxazol-3-yl)propan-1-one has a molecular weight of 139.15 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)propan-1-one is sourced from PubChem (CID 53403015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).