2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole

C19H19NO — CID 22898696

IUPAC2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole
SMILESCC(C)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C19H19NO/c1-14(2)13-17-20-18(15-9-5-3-6-10-15)19(21-17)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyQYVFRPORWLGAJH-UHFFFAOYSA-N
MW277.37 g/mol
LogP5.21
Rot. Bonds4

About 2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole

2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole (PubChem CID 22898696) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole
PubChem CID22898696
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole
SMILESCC(C)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C19H19NO/c1-14(2)13-17-20-18(15-9-5-3-6-10-15)19(21-17)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyQYVFRPORWLGAJH-UHFFFAOYSA-N
XLogP5.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole (CID 22898696) is 2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole is CC(C)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole?
The InChIKey is QYVFRPORWLGAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14(2)13-17-20-18(15-9-5-3-6-10-15)19(21-17)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole?
2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole has a molecular weight of 277.37 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 22898696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).