2,4,4-triphenyl-5H-1,3-oxazole

C21H17NO — CID 154237439

IUPAC2,4,4-triphenyl-5H-1,3-oxazole
SMILESc1ccc(C2=NC(c3ccccc3)(c3ccccc3)CO2)cc1
InChIInChI=1S/C21H17NO/c1-4-10-17(11-5-1)20-22-21(16-23-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyFATUMEHEIQGWCH-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.41
Rot. Bonds3

About 2,4,4-triphenyl-5H-1,3-oxazole

2,4,4-triphenyl-5H-1,3-oxazole (PubChem CID 154237439) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 2,4,4-triphenyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2,4,4-triphenyl-5H-1,3-oxazole
PubChem CID154237439
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name2,4,4-triphenyl-5H-1,3-oxazole
SMILESc1ccc(C2=NC(c3ccccc3)(c3ccccc3)CO2)cc1
InChIInChI=1S/C21H17NO/c1-4-10-17(11-5-1)20-22-21(16-23-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyFATUMEHEIQGWCH-UHFFFAOYSA-N
XLogP4.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
2,4-Diphenyl-1,3-oxazoline
CID 10889524
4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231

Frequently Asked Questions

What is the IUPAC name of 2,4,4-triphenyl-5H-1,3-oxazole?
The IUPAC name of 2,4,4-triphenyl-5H-1,3-oxazole (CID 154237439) is 2,4,4-triphenyl-5H-1,3-oxazole.
What is the SMILES notation for 2,4,4-triphenyl-5H-1,3-oxazole?
The canonical SMILES for 2,4,4-triphenyl-5H-1,3-oxazole is c1ccc(C2=NC(c3ccccc3)(c3ccccc3)CO2)cc1.
What is the InChIKey of 2,4,4-triphenyl-5H-1,3-oxazole?
The InChIKey is FATUMEHEIQGWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-4-10-17(11-5-1)20-22-21(16-23-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of 2,4,4-triphenyl-5H-1,3-oxazole?
2,4,4-triphenyl-5H-1,3-oxazole has a molecular weight of 299.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-triphenyl-5H-1,3-oxazole is sourced from PubChem (CID 154237439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).