1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C23H28N4O4 — CID 91911357

IUPAC1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCOCc1noc(CC2CCOC3(CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)C2)n1
InChIInChI=1S/C23H28N4O4/c1-29-15-20-25-21(31-26-20)12-16-5-11-30-23(14-16)6-9-27(10-7-23)22(28)18-3-2-17-4-8-24-19(17)13-18/h2-4,8,13,16,24H,5-7,9-12,14-15H2,1H3
InChIKeyBHLSGCLJZQTKFL-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.34
Rot. Bonds5

About 1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 91911357) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID91911357
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCOCc1noc(CC2CCOC3(CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)C2)n1
InChIInChI=1S/C23H28N4O4/c1-29-15-20-25-21(31-26-20)12-16-5-11-30-23(14-16)6-9-27(10-7-23)22(28)18-3-2-17-4-8-24-19(17)13-18/h2-4,8,13,16,24H,5-7,9-12,14-15H2,1H3
InChIKeyBHLSGCLJZQTKFL-UHFFFAOYSA-N
XLogP3.34
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of 1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 91911357) is 1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for 1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for 1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is COCc1noc(CC2CCOC3(CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)C2)n1.
What is the InChIKey of 1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is BHLSGCLJZQTKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-29-15-20-25-21(31-26-20)12-16-5-11-30-23(14-16)6-9-27(10-7-23)22(28)18-3-2-17-4-8-24-19(17)13-18/h2-4,8,13,16,24H,5-7,9-12,14-15H2,1H3.
What are the key properties of 1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 424.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 91911357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).