2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole

C11H11N3O — CID 119091935

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(C3=NCCN3)nc2c1
InChIInChI=1S/C11H11N3O/c1-7-2-3-9-8(6-7)14-11(15-9)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyAJDFBFMGSSFARW-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.49
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole

2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole (PubChem CID 119091935) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole
PubChem CID119091935
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(C3=NCCN3)nc2c1
InChIInChI=1S/C11H11N3O/c1-7-2-3-9-8(6-7)14-11(15-9)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyAJDFBFMGSSFARW-UHFFFAOYSA-N
XLogP1.49
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole
CID 119091936
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 50880177
2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole
CID 1472067
2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
5-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzoxazole iodide
CID 102552415
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole (CID 119091935) is 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole is Cc1ccc2oc(C3=NCCN3)nc2c1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole?
The InChIKey is AJDFBFMGSSFARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-2-3-9-8(6-7)14-11(15-9)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole?
2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole has a molecular weight of 201.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 119091935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).