5-methyl-2-(2-methylphenyl)-1,3-benzoxazole

C15H13NO — CID 839364

IUPAC5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccccc3C)nc2c1
InChIInChI=1S/C15H13NO/c1-10-7-8-14-13(9-10)16-15(17-14)12-6-4-3-5-11(12)2/h3-9H,1-2H3
InChIKeyFDOOHPCNDANWFP-UHFFFAOYSA-N
MW223.27 g/mol
LogP4.11
Rot. Bonds1

About 5-methyl-2-(2-methylphenyl)-1,3-benzoxazole

5-methyl-2-(2-methylphenyl)-1,3-benzoxazole (PubChem CID 839364) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-methyl-2-(2-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
PubChem CID839364
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccccc3C)nc2c1
InChIInChI=1S/C15H13NO/c1-10-7-8-14-13(9-10)16-15(17-14)12-6-4-3-5-11(12)2/h3-9H,1-2H3
InChIKeyFDOOHPCNDANWFP-UHFFFAOYSA-N
XLogP4.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 46085757
5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 95910994
[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357845
2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole
CID 1472067
5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 67188632
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
3-(5-methyl-1,3-benzoxazol-2-yl)chromen-2-one
CID 132599596
2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 107051373
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole
CID 46089173

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-(2-methylphenyl)-1,3-benzoxazole (CID 839364) is 5-methyl-2-(2-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-(2-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-(2-methylphenyl)-1,3-benzoxazole is Cc1ccc2oc(-c3ccccc3C)nc2c1.
What is the InChIKey of 5-methyl-2-(2-methylphenyl)-1,3-benzoxazole?
The InChIKey is FDOOHPCNDANWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-7-8-14-13(9-10)16-15(17-14)12-6-4-3-5-11(12)2/h3-9H,1-2H3.
What are the key properties of 5-methyl-2-(2-methylphenyl)-1,3-benzoxazole?
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole has a molecular weight of 223.27 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 839364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).