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

C23H21NO — CID 125114444

IUPAC4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole
SMILESCC1(C)C(c2ccccc2)=NOC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO/c1-22(2)21(18-12-6-3-7-13-18)24-25-23(22,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
InChIKeyDKJWKXJFVCPMSR-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.39
Rot. Bonds3

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

4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole (PubChem CID 125114444) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole
PubChem CID125114444
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole
SMILESCC1(C)C(c2ccccc2)=NOC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO/c1-22(2)21(18-12-6-3-7-13-18)24-25-23(22,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
InChIKeyDKJWKXJFVCPMSR-UHFFFAOYSA-N
XLogP5.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole?
The IUPAC name of 4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole (CID 125114444) is 4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole.
What is the SMILES notation for 4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole?
The canonical SMILES for 4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole is CC1(C)C(c2ccccc2)=NOC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole?
The InChIKey is DKJWKXJFVCPMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-22(2)21(18-12-6-3-7-13-18)24-25-23(22,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3.
What are the key properties of 4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole?
4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole has a molecular weight of 327.43 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole is sourced from PubChem (CID 125114444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).