7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole

C22H18N2O — CID 54613108

IUPAC7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
SMILESc1ccc(Cn2cc3c(c2-c2ccccc2)CCc2cnoc2-3)cc1
InChIInChI=1S/C22H18N2O/c1-3-7-16(8-4-1)14-24-15-20-19(12-11-18-13-23-25-22(18)20)21(24)17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2
InChIKeyJCSOLOWWVQJVRI-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.96
Rot. Bonds3

About 7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole

7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole (PubChem CID 54613108) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
PubChem CID54613108
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
SMILESc1ccc(Cn2cc3c(c2-c2ccccc2)CCc2cnoc2-3)cc1
InChIInChI=1S/C22H18N2O/c1-3-7-16(8-4-1)14-24-15-20-19(12-11-18-13-23-25-22(18)20)21(24)17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2
InChIKeyJCSOLOWWVQJVRI-UHFFFAOYSA-N
XLogP4.96
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole (CID 54613108) is 7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole is c1ccc(Cn2cc3c(c2-c2ccccc2)CCc2cnoc2-3)cc1.
What is the InChIKey of 7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The InChIKey is JCSOLOWWVQJVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-3-7-16(8-4-1)14-24-15-20-19(12-11-18-13-23-25-22(18)20)21(24)17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2.
What are the key properties of 7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole has a molecular weight of 326.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 54613108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).