2-(3,5-dimethylphenyl)-1,3-benzoxazole

C15H13NO — CID 23722944

IUPAC2-(3,5-dimethylphenyl)-1,3-benzoxazole
SMILESCc1cc(C)cc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C15H13NO/c1-10-7-11(2)9-12(8-10)15-16-13-5-3-4-6-14(13)17-15/h3-9H,1-2H3
InChIKeyBIHLSRJPJFOESJ-UHFFFAOYSA-N
MW223.27 g/mol
LogP4.11
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-1,3-benzoxazole

2-(3,5-dimethylphenyl)-1,3-benzoxazole (PubChem CID 23722944) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1,3-benzoxazole
PubChem CID23722944
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name2-(3,5-dimethylphenyl)-1,3-benzoxazole
SMILESCc1cc(C)cc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C15H13NO/c1-10-7-11(2)9-12(8-10)15-16-13-5-3-4-6-14(13)17-15/h3-9H,1-2H3
InChIKeyBIHLSRJPJFOESJ-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-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole
CID 129148229
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
2-(3,5-diiodo-4-methoxyphenyl)-1,3-benzoxazole
CID 24773372
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline
CID 88592162
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(3,5-dimethylphenyl)-1,3-benzoxazole (CID 23722944) is 2-(3,5-dimethylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1,3-benzoxazole is Cc1cc(C)cc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1,3-benzoxazole?
The InChIKey is BIHLSRJPJFOESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-7-11(2)9-12(8-10)15-16-13-5-3-4-6-14(13)17-15/h3-9H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1,3-benzoxazole?
2-(3,5-dimethylphenyl)-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 2-(3,5-dimethylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 23722944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).