1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one

C8H11NO2 — CID 55252842

IUPAC1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one
SMILESCC(=O)Cc1oc(C)nc1C
InChIInChI=1S/C8H11NO2/c1-5(10)4-8-6(2)9-7(3)11-8/h4H2,1-3H3
InChIKeyPKMSYRKAQVGLRH-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.42
Rot. Bonds2

About 1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one

1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one (PubChem CID 55252842) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one
PubChem CID55252842
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one
SMILESCC(=O)Cc1oc(C)nc1C
InChIInChI=1S/C8H11NO2/c1-5(10)4-8-6(2)9-7(3)11-8/h4H2,1-3H3
InChIKeyPKMSYRKAQVGLRH-UHFFFAOYSA-N
XLogP1.42
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one?
The IUPAC name of 1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one (CID 55252842) is 1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one?
The canonical SMILES for 1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one is CC(=O)Cc1oc(C)nc1C.
What is the InChIKey of 1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one?
The InChIKey is PKMSYRKAQVGLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5(10)4-8-6(2)9-7(3)11-8/h4H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one?
1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-oxazol-5-yl)propan-2-one is sourced from PubChem (CID 55252842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).