3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one

C8H11NO2 — CID 118208360

IUPAC3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one
SMILESC=C(C)c1c(C)oc(=O)n1C
InChIInChI=1S/C8H11NO2/c1-5(2)7-6(3)11-8(10)9(7)4/h1H2,2-4H3
InChIKeyAIXGVAXGFXHWOI-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.32
Rot. Bonds1

About 3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one

3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one (PubChem CID 118208360) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one
PubChem CID118208360
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one
SMILESC=C(C)c1c(C)oc(=O)n1C
InChIInChI=1S/C8H11NO2/c1-5(2)7-6(3)11-8(10)9(7)4/h1H2,2-4H3
InChIKeyAIXGVAXGFXHWOI-UHFFFAOYSA-N
XLogP1.32
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one?
The IUPAC name of 3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one (CID 118208360) is 3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one.
What is the SMILES notation for 3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one?
The canonical SMILES for 3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one is C=C(C)c1c(C)oc(=O)n1C.
What is the InChIKey of 3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one?
The InChIKey is AIXGVAXGFXHWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5(2)7-6(3)11-8(10)9(7)4/h1H2,2-4H3.
What are the key properties of 3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one?
3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazol-2-one is sourced from PubChem (CID 118208360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).