[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C21H24N4O6 — CID 55553032

IUPAC[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCOc1ccc(-c2nc(COC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)no2)cc1
InChIInChI=1S/C21H24N4O6/c1-24-20(28)25(19(27)21(24)10-4-3-5-11-21)12-17(26)30-13-16-22-18(31-23-16)14-6-8-15(29-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3
InChIKeyRBKLODROTXWGMQ-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.39
Rot. Bonds6

About [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 55553032) has the molecular formula C21H24N4O6 and a molecular weight of 428.45 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID55553032
Molecular FormulaC21H24N4O6
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCOc1ccc(-c2nc(COC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)no2)cc1
InChIInChI=1S/C21H24N4O6/c1-24-20(28)25(19(27)21(24)10-4-3-5-11-21)12-17(26)30-13-16-22-18(31-23-16)14-6-8-15(29-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3
InChIKeyRBKLODROTXWGMQ-UHFFFAOYSA-N
XLogP2.39
TPSA115.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 55553032) is [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is COc1ccc(-c2nc(COC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)no2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is RBKLODROTXWGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6/c1-24-20(28)25(19(27)21(24)10-4-3-5-11-21)12-17(26)30-13-16-22-18(31-23-16)14-6-8-15(29-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 428.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 55553032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).