2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

C26H30N4O4 — CID 70694648

IUPAC2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4nnc(C)o4)cc2)C3)cc1
InChIInChI=1S/C26H30N4O4/c1-19-27-28-25(34-19)21-5-3-20(4-6-21)15-29-17-26(18-29)11-13-30(14-12-26)24(31)16-33-23-9-7-22(32-2)8-10-23/h3-10H,11-18H2,1-2H3
InChIKeyRFHKLBUHNHHKDG-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.56
Rot. Bonds7

About 2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 70694648) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
PubChem CID70694648
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4nnc(C)o4)cc2)C3)cc1
InChIInChI=1S/C26H30N4O4/c1-19-27-28-25(34-19)21-5-3-20(4-6-21)15-29-17-26(18-29)11-13-30(14-12-26)24(31)16-33-23-9-7-22(32-2)8-10-23/h3-10H,11-18H2,1-2H3
InChIKeyRFHKLBUHNHHKDG-UHFFFAOYSA-N
XLogP3.56
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 70694648) is 2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4nnc(C)o4)cc2)C3)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is RFHKLBUHNHHKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-19-27-28-25(34-19)21-5-3-20(4-6-21)15-29-17-26(18-29)11-13-30(14-12-26)24(31)16-33-23-9-7-22(32-2)8-10-23/h3-10H,11-18H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 462.55 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-[2-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 70694648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).