2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole

C25H18ClNO — CID 155067752

IUPAC2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole
SMILESClc1ccc(C2Nc3c(cc(-c4ccccc4)cc3-c3ccccc3)O2)cc1
InChIInChI=1S/C25H18ClNO/c26-21-13-11-19(12-14-21)25-27-24-22(18-9-5-2-6-10-18)15-20(16-23(24)28-25)17-7-3-1-4-8-17/h1-16,25,27H
InChIKeyDKZDBDRXHOQEPB-UHFFFAOYSA-N
MW383.88 g/mol
LogP7.18
Rot. Bonds3

About 2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole

2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole (PubChem CID 155067752) has the molecular formula C25H18ClNO and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole
PubChem CID155067752
Molecular FormulaC25H18ClNO
Molecular Weight383.88 g/mol
Exact Mass383.11
IUPAC Name2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole
SMILESClc1ccc(C2Nc3c(cc(-c4ccccc4)cc3-c3ccccc3)O2)cc1
InChIInChI=1S/C25H18ClNO/c26-21-13-11-19(12-14-21)25-27-24-22(18-9-5-2-6-10-18)15-20(16-23(24)28-25)17-7-3-1-4-8-17/h1-16,25,27H
InChIKeyDKZDBDRXHOQEPB-UHFFFAOYSA-N
XLogP7.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of 2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole (CID 155067752) is 2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole is Clc1ccc(C2Nc3c(cc(-c4ccccc4)cc3-c3ccccc3)O2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole?
The InChIKey is DKZDBDRXHOQEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO/c26-21-13-11-19(12-14-21)25-27-24-22(18-9-5-2-6-10-18)15-20(16-23(24)28-25)17-7-3-1-4-8-17/h1-16,25,27H.
What are the key properties of 2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole?
2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole has a molecular weight of 383.88 g/mol, XLogP of 7.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4,6-diphenyl-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 155067752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).