[7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone

C21H22N4O2S — CID 146071038

IUPAC[7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone
SMILESCc1nnc(C2CN(Cc3ccccc3)CC23CN(C(=O)c2cccs2)C3)o1
InChIInChI=1S/C21H22N4O2S/c1-15-22-23-19(27-15)17-11-24(10-16-6-3-2-4-7-16)12-21(17)13-25(14-21)20(26)18-8-5-9-28-18/h2-9,17H,10-14H2,1H3
InChIKeyFDPXCPCBPXWVMJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.18
Rot. Bonds4

About [7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone

[7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone (PubChem CID 146071038) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is [7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone
PubChem CID146071038
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name[7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone
SMILESCc1nnc(C2CN(Cc3ccccc3)CC23CN(C(=O)c2cccs2)C3)o1
InChIInChI=1S/C21H22N4O2S/c1-15-22-23-19(27-15)17-11-24(10-16-6-3-2-4-7-16)12-21(17)13-25(14-21)20(26)18-8-5-9-28-18/h2-9,17H,10-14H2,1H3
InChIKeyFDPXCPCBPXWVMJ-UHFFFAOYSA-N
XLogP3.18
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

1-[7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-3-(3-methoxyphenyl)propan-1-one
CID 146071051
1-[7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone
CID 146068768
[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone
CID 91912379
[7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 146068743
(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
CID 110644128
[(3S,4R)-1-benzyl-4-hydroxy-4-thiophen-2-ylpiperidin-3-yl]-thiophen-2-ylmethanone
CID 25346369
[(3S,4S)-1-benzyl-4-hydroxy-4-thiophen-2-ylpiperidin-3-yl]-thiophen-2-ylmethanone
CID 1278627
[(3R,4S)-1-benzyl-4-hydroxy-4-thiophen-2-ylpiperidin-3-yl]-thiophen-2-ylmethanone
CID 7792256
[(3R,4R)-1-benzyl-4-hydroxy-4-thiophen-2-ylpiperidin-3-yl]-thiophen-2-ylmethanone
CID 7792252
[(4S,5R)-2-(2-methoxyethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97472410
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid
CID 20792051

Frequently Asked Questions

What is the IUPAC name of [7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone (CID 146071038) is [7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone is Cc1nnc(C2CN(Cc3ccccc3)CC23CN(C(=O)c2cccs2)C3)o1.
What is the InChIKey of [7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone?
The InChIKey is FDPXCPCBPXWVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-15-22-23-19(27-15)17-11-24(10-16-6-3-2-4-7-16)12-21(17)13-25(14-21)20(26)18-8-5-9-28-18/h2-9,17H,10-14H2,1H3.
What are the key properties of [7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone?
[7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone has a molecular weight of 394.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-benzyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 146071038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).