4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole

C18H19NO — CID 12995599

IUPAC4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)OC1(C)C
InChIInChI=1S/C18H19NO/c1-14-17(2,3)20-18(19-14,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3
InChIKeyZGCPGGJMQMZGLP-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.16
Rot. Bonds2

About 4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole

4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole (PubChem CID 12995599) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole
PubChem CID12995599
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)OC1(C)C
InChIInChI=1S/C18H19NO/c1-14-17(2,3)20-18(19-14,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3
InChIKeyZGCPGGJMQMZGLP-UHFFFAOYSA-N
XLogP4.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Benzyl-2-ethyl-5-methyl-6-phenyl-4,5-dihydro-1,3-oxazine
CID 12372430
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole
CID 139048239
(2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine
CID 139187280
5-Methyl-2,5-diphenyl-2-oxazoline
CID 13191724
(4R,5S)-2-methyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 12643448
(4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 164668216
ethyl (1E)-2-chloro-N-[ethoxy(diphenyl)methyl]ethanimidate
CID 10568530
methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate
CID 10851700
5-Methyl-4,5-diphenyl-2-oxazoline
CID 12254973
2,3a-Dimethyl-4,6,7a-triphenyl-1,3-benzoxazole
CID 12729562
2,5-diphenyl-5-propan-2-yl-4H-1,3-oxazole
CID 13554223

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole?
The IUPAC name of 4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole (CID 12995599) is 4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole.
What is the SMILES notation for 4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole?
The canonical SMILES for 4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole is CC1=NC(c2ccccc2)(c2ccccc2)OC1(C)C.
What is the InChIKey of 4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole?
The InChIKey is ZGCPGGJMQMZGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-17(2,3)20-18(19-14,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3.
What are the key properties of 4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole?
4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole has a molecular weight of 265.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyl-2,2-diphenyl-1,3-oxazole is sourced from PubChem (CID 12995599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).