7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole

C23H20N2O2 — CID 54613109

IUPAC7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2cc3c(c2-c2ccccc2)CCc2cnoc2-3)cc1
InChIInChI=1S/C23H20N2O2/c1-26-19-10-7-16(8-11-19)14-25-15-21-20(12-9-18-13-24-27-23(18)21)22(25)17-5-3-2-4-6-17/h2-8,10-11,13,15H,9,12,14H2,1H3
InChIKeyIHQWCULBSHFACX-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.97
Rot. Bonds4

About 7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole

7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole (PubChem CID 54613109) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
PubChem CID54613109
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2cc3c(c2-c2ccccc2)CCc2cnoc2-3)cc1
InChIInChI=1S/C23H20N2O2/c1-26-19-10-7-16(8-11-19)14-25-15-21-20(12-9-18-13-24-27-23(18)21)22(25)17-5-3-2-4-6-17/h2-8,10-11,13,15H,9,12,14H2,1H3
InChIKeyIHQWCULBSHFACX-UHFFFAOYSA-N
XLogP4.97
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Jwh 081
CID 10547208
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Jwh-166
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(5-(2-methoxyphenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
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Jwh-367
CID 44418330
(5-(4-methoxyphenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
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(4-Methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 10831231
(2-Methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 11152088
(6-Methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
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7-(3,4-dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole
CID 60148287
(3-methoxynaphthalen-2-yl)(1-pentyl-1H-indol-3-yl)methanone
CID 44581023
7-Benzyl-5,4-e]isoindole
CID 54613102

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole (CID 54613109) is 7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole is COc1ccc(Cn2cc3c(c2-c2ccccc2)CCc2cnoc2-3)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The InChIKey is IHQWCULBSHFACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-26-19-10-7-16(8-11-19)14-25-15-21-20(12-9-18-13-24-27-23(18)21)22(25)17-5-3-2-4-6-17/h2-8,10-11,13,15H,9,12,14H2,1H3.
What are the key properties of 7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole has a molecular weight of 356.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-6-phenyl-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 54613109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).