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

C16H15NO — CID 14853170

IUPAC2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C16H15NO/c1-12-7-5-6-10-14(12)16-17-15(11-18-16)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
InChIKeyCHLYZZSXQFAGFZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.51
Rot. Bonds2

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

2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 14853170) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID14853170
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C16H15NO/c1-12-7-5-6-10-14(12)16-17-15(11-18-16)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
InChIKeyCHLYZZSXQFAGFZ-UHFFFAOYSA-N
XLogP3.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 14853170) is 2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole is Cc1ccccc1C1=NC(c2ccccc2)CO1.
What is the InChIKey of 2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is CHLYZZSXQFAGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-7-5-6-10-14(12)16-17-15(11-18-16)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 237.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).