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

C18H18N2O3 — CID 134131455

IUPAC7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
SMILESCOc1cc(Cn2cc3c(c2)-c2oncc2CC3)cc(OC)c1
InChIInChI=1S/C18H18N2O3/c1-21-15-5-12(6-16(7-15)22-2)9-20-10-14-4-3-13-8-19-23-18(13)17(14)11-20/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyNVERMUKDZOJJGU-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.31
Rot. Bonds4

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

7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole (PubChem CID 134131455) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
PubChem CID134131455
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole
SMILESCOc1cc(Cn2cc3c(c2)-c2oncc2CC3)cc(OC)c1
InChIInChI=1S/C18H18N2O3/c1-21-15-5-12(6-16(7-15)22-2)9-20-10-14-4-3-13-8-19-23-18(13)17(14)11-20/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyNVERMUKDZOJJGU-UHFFFAOYSA-N
XLogP3.31
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The IUPAC name of 7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole (CID 134131455) is 7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The canonical SMILES for 7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole is COc1cc(Cn2cc3c(c2)-c2oncc2CC3)cc(OC)c1.
What is the InChIKey of 7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
The InChIKey is NVERMUKDZOJJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-21-15-5-12(6-16(7-15)22-2)9-20-10-14-4-3-13-8-19-23-18(13)17(14)11-20/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole?
7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole has a molecular weight of 310.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 134131455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).