3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one

C9H11N3O2 — CID 70554758

IUPAC3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one
SMILESCc1noc(-n2c(C)c[nH]c2=O)c1C
InChIInChI=1S/C9H11N3O2/c1-5-4-10-9(13)12(5)8-6(2)7(3)11-14-8/h4H,1-3H3,(H,10,13)
InChIKeyFOSLQZDYAZKTFS-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.08
Rot. Bonds1

About 3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one

3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one (PubChem CID 70554758) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one
PubChem CID70554758
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one
SMILESCc1noc(-n2c(C)c[nH]c2=O)c1C
InChIInChI=1S/C9H11N3O2/c1-5-4-10-9(13)12(5)8-6(2)7(3)11-14-8/h4H,1-3H3,(H,10,13)
InChIKeyFOSLQZDYAZKTFS-UHFFFAOYSA-N
XLogP1.08
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
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)-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one (CID 70554758) is 3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one is Cc1noc(-n2c(C)c[nH]c2=O)c1C.
What is the InChIKey of 3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one?
The InChIKey is FOSLQZDYAZKTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5-4-10-9(13)12(5)8-6(2)7(3)11-14-8/h4H,1-3H3,(H,10,13).
What are the key properties of 3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one?
3-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methyl-1H-imidazol-2-one has a molecular weight of 193.21 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 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)-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 70554758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).