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

C22H19NO — CID 23431987

IUPAC2-methyl-4,4,5-triphenyl-5H-1,3-oxazole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C22H19NO/c1-17-23-22(19-13-7-3-8-14-19,20-15-9-4-10-16-20)21(24-17)18-11-5-2-6-12-18/h2-16,21H,1H3
InChIKeyVYLYTGOUEKVTNY-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.12
Rot. Bonds3

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

2-methyl-4,4,5-triphenyl-5H-1,3-oxazole (PubChem CID 23431987) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-4,4,5-triphenyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4,4,5-triphenyl-5H-1,3-oxazole
PubChem CID23431987
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name2-methyl-4,4,5-triphenyl-5H-1,3-oxazole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C22H19NO/c1-17-23-22(19-13-7-3-8-14-19,20-15-9-4-10-16-20)21(24-17)18-11-5-2-6-12-18/h2-16,21H,1H3
InChIKeyVYLYTGOUEKVTNY-UHFFFAOYSA-N
XLogP5.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.12
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
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 15358971
(R,S)-BisPh-mebBox
CID 3701334
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
2-(2,6-difluorophenyl)-4-methyl-4-phenyl-5H-1,3-oxazole
CID 76308796
2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 19956376
2-[(3,5-Dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
CID 21202079
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
(4R,5R)-2-(2-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797567
(4R,5R)-2-(3-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797569
(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole
CID 139048239
(4R,5S)-4,5-diphenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 177851342

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,4,5-triphenyl-5H-1,3-oxazole?
The IUPAC name of 2-methyl-4,4,5-triphenyl-5H-1,3-oxazole (CID 23431987) is 2-methyl-4,4,5-triphenyl-5H-1,3-oxazole.
What is the SMILES notation for 2-methyl-4,4,5-triphenyl-5H-1,3-oxazole?
The canonical SMILES for 2-methyl-4,4,5-triphenyl-5H-1,3-oxazole is CC1=NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of 2-methyl-4,4,5-triphenyl-5H-1,3-oxazole?
The InChIKey is VYLYTGOUEKVTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-17-23-22(19-13-7-3-8-14-19,20-15-9-4-10-16-20)21(24-17)18-11-5-2-6-12-18/h2-16,21H,1H3.
What are the key properties of 2-methyl-4,4,5-triphenyl-5H-1,3-oxazole?
2-methyl-4,4,5-triphenyl-5H-1,3-oxazole has a molecular weight of 313.40 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,4,5-triphenyl-5H-1,3-oxazole is sourced from PubChem (CID 23431987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).