2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole

C24H19NO — CID 102168962

IUPAC2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole
SMILESc1ccc(CN2Oc3cc4ccccc4cc3C2c2ccccc2)cc1
InChIInChI=1S/C24H19NO/c1-3-9-18(10-4-1)17-25-24(19-11-5-2-6-12-19)22-15-20-13-7-8-14-21(20)16-23(22)26-25/h1-16,24H,17H2
InChIKeyMKJOUXHYPJSTTG-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.74
Rot. Bonds3

About 2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole

2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole (PubChem CID 102168962) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole.

Molecular Properties

Compound Name2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole
PubChem CID102168962
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole
SMILESc1ccc(CN2Oc3cc4ccccc4cc3C2c2ccccc2)cc1
InChIInChI=1S/C24H19NO/c1-3-9-18(10-4-1)17-25-24(19-11-5-2-6-12-19)22-15-20-13-7-8-14-21(20)16-23(22)26-25/h1-16,24H,17H2
InChIKeyMKJOUXHYPJSTTG-UHFFFAOYSA-N
XLogP5.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole?
The IUPAC name of 2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole (CID 102168962) is 2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole.
What is the SMILES notation for 2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole?
The canonical SMILES for 2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole is c1ccc(CN2Oc3cc4ccccc4cc3C2c2ccccc2)cc1.
What is the InChIKey of 2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole?
The InChIKey is MKJOUXHYPJSTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO/c1-3-9-18(10-4-1)17-25-24(19-11-5-2-6-12-19)22-15-20-13-7-8-14-21(20)16-23(22)26-25/h1-16,24H,17H2.
What are the key properties of 2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole?
2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole has a molecular weight of 337.42 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole is sourced from PubChem (CID 102168962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).