5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole

C24H26N2O4 — CID 58842687

IUPAC5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2nc(C3(c4ccccc4)CCC4(CC3)OCCO4)no2)c1
InChIInChI=1S/C24H26N2O4/c1-27-20-9-5-6-18(16-20)17-21-25-22(26-30-21)23(19-7-3-2-4-8-19)10-12-24(13-11-23)28-14-15-29-24/h2-9,16H,10-15,17H2,1H3
InChIKeyVYUOFGJMDXPYHQ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.27
Rot. Bonds5

About 5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole

5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole (PubChem CID 58842687) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole
PubChem CID58842687
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2nc(C3(c4ccccc4)CCC4(CC3)OCCO4)no2)c1
InChIInChI=1S/C24H26N2O4/c1-27-20-9-5-6-18(16-20)17-21-25-22(26-30-21)23(19-7-3-2-4-8-19)10-12-24(13-11-23)28-14-15-29-24/h2-9,16H,10-15,17H2,1H3
InChIKeyVYUOFGJMDXPYHQ-UHFFFAOYSA-N
XLogP4.27
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole (CID 58842687) is 5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole is COc1cccc(Cc2nc(C3(c4ccccc4)CCC4(CC3)OCCO4)no2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole?
The InChIKey is VYUOFGJMDXPYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-27-20-9-5-6-18(16-20)17-21-25-22(26-30-21)23(19-7-3-2-4-8-19)10-12-24(13-11-23)28-14-15-29-24/h2-9,16H,10-15,17H2,1H3.
What are the key properties of 5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole?
5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole has a molecular weight of 406.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 58842687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).