2-benzyl-5-(4-methylphenyl)-1,3-oxazole

C17H15NO — CID 135058309

IUPAC2-benzyl-5-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2cnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C17H15NO/c1-13-7-9-15(10-8-13)16-12-18-17(19-16)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyMXJIBAYEFQUPEA-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.24
Rot. Bonds3

About 2-benzyl-5-(4-methylphenyl)-1,3-oxazole

2-benzyl-5-(4-methylphenyl)-1,3-oxazole (PubChem CID 135058309) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-benzyl-5-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-5-(4-methylphenyl)-1,3-oxazole
PubChem CID135058309
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-benzyl-5-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2cnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C17H15NO/c1-13-7-9-15(10-8-13)16-12-18-17(19-16)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyMXJIBAYEFQUPEA-UHFFFAOYSA-N
XLogP4.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole
CID 102005963
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
2-methyl-1-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111799457
2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine
CID 111822676
2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole
CID 102005962
2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid
CID 119347414
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24596759
2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole
CID 22762559
benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
CID 30699767
2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole
CID 115036778
1-(2-benzylpyrrolidin-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 24688231
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-phenylphosphane
CID 71175511

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 2-benzyl-5-(4-methylphenyl)-1,3-oxazole (CID 135058309) is 2-benzyl-5-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-benzyl-5-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2-benzyl-5-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2cnc(Cc3ccccc3)o2)cc1.
What is the InChIKey of 2-benzyl-5-(4-methylphenyl)-1,3-oxazole?
The InChIKey is MXJIBAYEFQUPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-13-7-9-15(10-8-13)16-12-18-17(19-16)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of 2-benzyl-5-(4-methylphenyl)-1,3-oxazole?
2-benzyl-5-(4-methylphenyl)-1,3-oxazole has a molecular weight of 249.31 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 135058309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).