3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one

C13H8N6O3S — CID 60613932

IUPAC3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ncccn2)n1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C13H8N6O3S/c20-13-19(12(18-22-13)11-14-4-2-5-15-11)7-9-16-10(17-21-9)8-3-1-6-23-8/h1-6H,7H2
InChIKeyGOIVUPRLLGPHPC-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.45
Rot. Bonds4

About 3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one

3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 60613932) has the molecular formula C13H8N6O3S and a molecular weight of 328.31 g/mol. Its IUPAC name is 3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID60613932
Molecular FormulaC13H8N6O3S
Molecular Weight328.31 g/mol
Exact Mass328.04
IUPAC Name3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ncccn2)n1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C13H8N6O3S/c20-13-19(12(18-22-13)11-14-4-2-5-15-11)7-9-16-10(17-21-9)8-3-1-6-23-8/h1-6H,7H2
InChIKeyGOIVUPRLLGPHPC-UHFFFAOYSA-N
XLogP1.45
TPSA112.73 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
CID 51102971
4-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 47086246
5-tert-butyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 71969957
4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
CID 51106485
4-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 71882400
4-[(2-methylphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 6624086
4-[[4-(hydroxymethyl)phenyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 110005307
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal
CID 130369057
5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9291577
5,6-dimethyl-3-oxo-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridazine-4-carbonitrile
CID 9380342
1-phenyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,3-dione
CID 167997716
1,1-difluoro-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346751

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one (CID 60613932) is 3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(-c2ncccn2)n1Cc1nc(-c2cccs2)no1.
What is the InChIKey of 3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is GOIVUPRLLGPHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N6O3S/c20-13-19(12(18-22-13)11-14-4-2-5-15-11)7-9-16-10(17-21-9)8-3-1-6-23-8/h1-6H,7H2.
What are the key properties of 3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one?
3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 328.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 60613932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).