4,5-diphenyl-2-propan-2-yl-1,3-oxazole

C18H17NO — CID 10244505

IUPAC4,5-diphenyl-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H17NO/c1-13(2)18-19-16(14-9-5-3-6-10-14)17(20-18)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyVOJJNQHFDVLEFL-UHFFFAOYSA-N
MW263.34 g/mol
LogP5.13
Rot. Bonds3

About 4,5-diphenyl-2-propan-2-yl-1,3-oxazole

4,5-diphenyl-2-propan-2-yl-1,3-oxazole (PubChem CID 10244505) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 4,5-diphenyl-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4,5-diphenyl-2-propan-2-yl-1,3-oxazole
PubChem CID10244505
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name4,5-diphenyl-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H17NO/c1-13(2)18-19-16(14-9-5-3-6-10-14)17(20-18)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyVOJJNQHFDVLEFL-UHFFFAOYSA-N
XLogP5.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.34
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4,5-diphenyl-2-propan-2-yl-1,3-oxazole (CID 10244505) is 4,5-diphenyl-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4,5-diphenyl-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4,5-diphenyl-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 4,5-diphenyl-2-propan-2-yl-1,3-oxazole?
The InChIKey is VOJJNQHFDVLEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-13(2)18-19-16(14-9-5-3-6-10-14)17(20-18)15-11-7-4-8-12-15/h3-13H,1-2H3.
What are the key properties of 4,5-diphenyl-2-propan-2-yl-1,3-oxazole?
4,5-diphenyl-2-propan-2-yl-1,3-oxazole has a molecular weight of 263.34 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 10244505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).