(5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole

C22H19NO — CID 59058540

IUPAC(5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)[C@@H](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/t21-/m1/s1
InChIKeyVYLYTGOUEKVTNY-OAQYLSRUSA-N
MW313.40 g/mol
LogP5.12
Rot. Bonds3

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

(5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole (PubChem CID 59058540) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is (5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole.

Molecular Properties

Compound Name(5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole
PubChem CID59058540
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name(5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)[C@@H](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/t21-/m1/s1
InChIKeyVYLYTGOUEKVTNY-OAQYLSRUSA-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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Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole?
The IUPAC name of (5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole (CID 59058540) is (5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole.
What is the SMILES notation for (5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole?
The canonical SMILES for (5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole is CC1=NC(c2ccccc2)(c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole?
The InChIKey is VYLYTGOUEKVTNY-OAQYLSRUSA-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/t21-/m1/s1.
What are the key properties of (5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole?
(5R)-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 (5R)-2-methyl-4,4,5-triphenyl-5H-1,3-oxazole is sourced from PubChem (CID 59058540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).