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

C9H13N3O2 — CID 70555357

IUPAC3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one
SMILESCc1noc(N2CN(C)CC2=O)c1C
InChIInChI=1S/C9H13N3O2/c1-6-7(2)10-14-9(6)12-5-11(3)4-8(12)13/h4-5H2,1-3H3
InChIKeyZHGJHSYGPYMHBB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.53
Rot. Bonds1

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

3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one (PubChem CID 70555357) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one
PubChem CID70555357
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one
SMILESCc1noc(N2CN(C)CC2=O)c1C
InChIInChI=1S/C9H13N3O2/c1-6-7(2)10-14-9(6)12-5-11(3)4-8(12)13/h4-5H2,1-3H3
InChIKeyZHGJHSYGPYMHBB-UHFFFAOYSA-N
XLogP0.53
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one?
The IUPAC name of 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one (CID 70555357) is 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one.
What is the SMILES notation for 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one?
The canonical SMILES for 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one is Cc1noc(N2CN(C)CC2=O)c1C.
What is the InChIKey of 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one?
The InChIKey is ZHGJHSYGPYMHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-7(2)10-14-9(6)12-5-11(3)4-8(12)13/h4-5H2,1-3H3.
What are the key properties of 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one?
3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one has a molecular weight of 195.22 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylimidazolidin-4-one is sourced from PubChem (CID 70555357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).