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

C17H16N2O2 — CID 54613103

IUPAC7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2cc3c(c2)-c2oncc2CC3)cc1
InChIInChI=1S/C17H16N2O2/c1-20-15-6-2-12(3-7-15)9-19-10-14-5-4-13-8-18-21-17(13)16(14)11-19/h2-3,6-8,10-11H,4-5,9H2,1H3
InChIKeyJRGCIIGJAKZUSO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.30
Rot. Bonds3

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

7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole (PubChem CID 54613103) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
PubChem CID54613103
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
SMILESCOc1ccc(Cn2cc3c(c2)-c2oncc2CC3)cc1
InChIInChI=1S/C17H16N2O2/c1-20-15-6-2-12(3-7-15)9-19-10-14-5-4-13-8-18-21-17(13)16(14)11-19/h2-3,6-8,10-11H,4-5,9H2,1H3
InChIKeyJRGCIIGJAKZUSO-UHFFFAOYSA-N
XLogP3.30
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole (CID 54613103) is 7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole is COc1ccc(Cn2cc3c(c2)-c2oncc2CC3)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The InChIKey is JRGCIIGJAKZUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-15-6-2-12(3-7-15)9-19-10-14-5-4-13-8-18-21-17(13)16(14)11-19/h2-3,6-8,10-11H,4-5,9H2,1H3.
What are the key properties of 7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole has a molecular weight of 280.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 54613103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).