3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one

C12H11N3O2 — CID 116883887

IUPAC3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one
SMILESCc1ncc(-c2ccc3c(c2)oc(=O)n3C)[nH]1
InChIInChI=1S/C12H11N3O2/c1-7-13-6-9(14-7)8-3-4-10-11(5-8)17-12(16)15(10)2/h3-6H,1-2H3,(H,13,14)
InChIKeyJVDUCTBIYJDEAH-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.83
Rot. Bonds1

About 3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one

3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one (PubChem CID 116883887) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one
PubChem CID116883887
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one
SMILESCc1ncc(-c2ccc3c(c2)oc(=O)n3C)[nH]1
InChIInChI=1S/C12H11N3O2/c1-7-13-6-9(14-7)8-3-4-10-11(5-8)17-12(16)15(10)2/h3-6H,1-2H3,(H,13,14)
InChIKeyJVDUCTBIYJDEAH-UHFFFAOYSA-N
XLogP1.83
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one
CID 116966116
3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one
CID 28815458
6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116896986
6-(2-amino-5-methyl-1,3-oxazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116831863
6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one
CID 167066942
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
6-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrimidine-4-carbaldehyde
CID 116857786
3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one
CID 116879745
6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452
N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide
CID 66797855
2-methyl-5-(2-methyl-1H-imidazol-5-yl)pyridine
CID 90181960

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one (CID 116883887) is 3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one is Cc1ncc(-c2ccc3c(c2)oc(=O)n3C)[nH]1.
What is the InChIKey of 3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one?
The InChIKey is JVDUCTBIYJDEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-7-13-6-9(14-7)8-3-4-10-11(5-8)17-12(16)15(10)2/h3-6H,1-2H3,(H,13,14).
What are the key properties of 3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one?
3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one has a molecular weight of 229.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 116883887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).