2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

C27H28N6O3 — CID 53259286

IUPAC2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOc1ccc(-c2nnc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)o2)cc1
InChIInChI=1S/C27H28N6O3/c1-35-20-9-7-19(8-10-20)25-31-30-24(36-25)18-33-14-4-11-27(26(33)34)12-15-32(16-13-27)23-17-28-21-5-2-3-6-22(21)29-23/h2-3,5-10,17H,4,11-16,18H2,1H3
InChIKeyLPGIRLKYYQOUFT-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.10
Rot. Bonds5

About 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 53259286) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID53259286
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOc1ccc(-c2nnc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)o2)cc1
InChIInChI=1S/C27H28N6O3/c1-35-20-9-7-19(8-10-20)25-31-30-24(36-25)18-33-14-4-11-27(26(33)34)12-15-32(16-13-27)23-17-28-21-5-2-3-6-22(21)29-23/h2-3,5-10,17H,4,11-16,18H2,1H3
InChIKeyLPGIRLKYYQOUFT-UHFFFAOYSA-N
XLogP4.10
TPSA97.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one with MolForge

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Related Compounds

2-[(4-Methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 53259798
2-[(5-Phenyl-1,3-oxazol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 67251377
2-[[3-(5-Methyl-1,3-oxazol-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 67251882
4-[5-Amino-6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-n,n-dimethyl-benzamide
CID 59471849
1-((5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)methyl)-2-(morpholinomethyl)-1H-benzimidazole (5r)
CID 126842596
2-(Benzimidazol-1-ylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 25996657
2-(4-Methoxyphenyl)-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 45851506
[1-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53167015
2-(4-Methoxyphenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
CID 83274017
[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 58186824
1-[[2-(4-Methylpiperazin-1-yl)pyridin-4-yl]methyl]-5-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-one
CID 89994234
2-(4-methoxyphenyl)-5-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 26622402

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 53259286) is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is COc1ccc(-c2nnc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)o2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is LPGIRLKYYQOUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-35-20-9-7-19(8-10-20)25-31-30-24(36-25)18-33-14-4-11-27(26(33)34)12-15-32(16-13-27)23-17-28-21-5-2-3-6-22(21)29-23/h2-3,5-10,17H,4,11-16,18H2,1H3.
What are the key properties of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 484.56 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 53259286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).