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

C16H13NO — CID 3946772

IUPAC5-(4-methylphenyl)-2-phenyl-1,3-oxazole
SMILESCc1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H13NO/c1-12-7-9-13(10-8-12)15-11-17-16(18-15)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyVRWPYZSVYGMQJM-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.32
Rot. Bonds2

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

5-(4-methylphenyl)-2-phenyl-1,3-oxazole (PubChem CID 3946772) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-phenyl-1,3-oxazole
PubChem CID3946772
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name5-(4-methylphenyl)-2-phenyl-1,3-oxazole
SMILESCc1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H13NO/c1-12-7-9-13(10-8-12)15-11-17-16(18-15)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyVRWPYZSVYGMQJM-UHFFFAOYSA-N
XLogP4.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodophenyl)-5-phenyl-1,3-oxazole
CID 19894925
5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 5027296
5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 171457388
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927
2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 71327926
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
[4-(5-phenyl-1,3-oxazol-2-yl)phenyl] acetate
CID 24962592
[4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate
CID 71501498
2-(1-ethylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole;4-methylbenzenesulfonate
CID 17389446
5-(2,6-dimethyl-4-phenylphenyl)-2-phenyl-1,3-oxazole
CID 140714662
5-(5-methylthiophen-2-yl)-2-phenyl-1,3-oxazole
CID 14424350
2-benzyl-5-(4-methylphenyl)-1,3-oxazole
CID 135058309

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 5-(4-methylphenyl)-2-phenyl-1,3-oxazole (CID 3946772) is 5-(4-methylphenyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-(4-methylphenyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-(4-methylphenyl)-2-phenyl-1,3-oxazole is Cc1ccc(-c2cnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-phenyl-1,3-oxazole?
The InChIKey is VRWPYZSVYGMQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-12-7-9-13(10-8-12)15-11-17-16(18-15)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 5-(4-methylphenyl)-2-phenyl-1,3-oxazole?
5-(4-methylphenyl)-2-phenyl-1,3-oxazole has a molecular weight of 235.29 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 3946772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).