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

C7H9NO2 — CID 82593984

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(4-methyl-1,3-oxazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc(C)co1
InChIInChI=1S/C7H9NO2/c1-5-4-10-7(8-5)3-6(2)9/h4H,3H2,1-2H3
InChIKeyXVHFYRZRVOXHEA-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.11
Rot. Bonds2

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

1-(4-methyl-1,3-oxazol-2-yl)propan-2-one (PubChem CID 82593984) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(4-methyl-1,3-oxazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-methyl-1,3-oxazol-2-yl)propan-2-one
PubChem CID82593984
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-(4-methyl-1,3-oxazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc(C)co1
InChIInChI=1S/C7H9NO2/c1-5-4-10-7(8-5)3-6(2)9/h4H,3H2,1-2H3
InChIKeyXVHFYRZRVOXHEA-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-oxazol-2-yl)propan-2-one?
The IUPAC name of 1-(4-methyl-1,3-oxazol-2-yl)propan-2-one (CID 82593984) is 1-(4-methyl-1,3-oxazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-methyl-1,3-oxazol-2-yl)propan-2-one?
The canonical SMILES for 1-(4-methyl-1,3-oxazol-2-yl)propan-2-one is CC(=O)Cc1nc(C)co1.
What is the InChIKey of 1-(4-methyl-1,3-oxazol-2-yl)propan-2-one?
The InChIKey is XVHFYRZRVOXHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-4-10-7(8-5)3-6(2)9/h4H,3H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-oxazol-2-yl)propan-2-one?
1-(4-methyl-1,3-oxazol-2-yl)propan-2-one has a molecular weight of 139.15 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-oxazol-2-yl)propan-2-one is sourced from PubChem (CID 82593984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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