5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one

C14H17N5O2S — CID 154788275

IUPAC5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one
SMILESO=C1CC2(CNC2)N(Cc2nc(-c3cccs3)no2)CCN1
InChIInChI=1S/C14H17N5O2S/c20-11-6-14(8-15-9-14)19(4-3-16-11)7-12-17-13(18-21-12)10-2-1-5-22-10/h1-2,5,15H,3-4,6-9H2,(H,16,20)
InChIKeyLDMVHHDVNZHBDD-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.46
Rot. Bonds3

About 5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one

5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one (PubChem CID 154788275) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one.

Molecular Properties

Compound Name5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one
PubChem CID154788275
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one
SMILESO=C1CC2(CNC2)N(Cc2nc(-c3cccs3)no2)CCN1
InChIInChI=1S/C14H17N5O2S/c20-11-6-14(8-15-9-14)19(4-3-16-11)7-12-17-13(18-21-12)10-2-1-5-22-10/h1-2,5,15H,3-4,6-9H2,(H,16,20)
InChIKeyLDMVHHDVNZHBDD-UHFFFAOYSA-N
XLogP0.46
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 65462979
5-(1,4-diazepan-1-ylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43162484
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 82713468
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119916503
1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile
CID 79085444
5-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120847602
1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 136563030
4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 8962629
3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
CID 60613932
1-phenyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,3-dione
CID 167997716
5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 136570102
5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51924350

Frequently Asked Questions

What is the IUPAC name of 5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one?
The IUPAC name of 5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one (CID 154788275) is 5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one.
What is the SMILES notation for 5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one?
The canonical SMILES for 5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one is O=C1CC2(CNC2)N(Cc2nc(-c3cccs3)no2)CCN1.
What is the InChIKey of 5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one?
The InChIKey is LDMVHHDVNZHBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c20-11-6-14(8-15-9-14)19(4-3-16-11)7-12-17-13(18-21-12)10-2-1-5-22-10/h1-2,5,15H,3-4,6-9H2,(H,16,20).
What are the key properties of 5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one?
5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one has a molecular weight of 319.39 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one is sourced from PubChem (CID 154788275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).