5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C13H13N3O4S2 — CID 94171443

IUPAC5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCc1cc(CS(=O)(=O)[C@H](C)c2nc(-c3cccs3)no2)on1
InChIInChI=1S/C13H13N3O4S2/c1-8-6-10(19-15-8)7-22(17,18)9(2)13-14-12(16-20-13)11-4-3-5-21-11/h3-6,9H,7H2,1-2H3/t9-/m1/s1
InChIKeyVLFZOFHZDZGIQN-SECBINFHSA-N
MW339.40 g/mol
LogP2.77
Rot. Bonds5

About 5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 94171443) has the molecular formula C13H13N3O4S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID94171443
Molecular FormulaC13H13N3O4S2
Molecular Weight339.40 g/mol
Exact Mass339.03
IUPAC Name5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCc1cc(CS(=O)(=O)[C@H](C)c2nc(-c3cccs3)no2)on1
InChIInChI=1S/C13H13N3O4S2/c1-8-6-10(19-15-8)7-22(17,18)9(2)13-14-12(16-20-13)11-4-3-5-21-11/h3-6,9H,7H2,1-2H3/t9-/m1/s1
InChIKeyVLFZOFHZDZGIQN-SECBINFHSA-N
XLogP2.77
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(1R)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95154621
5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
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(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43095881
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
CID 47206964
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334507
5-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95153364
2,2-dimethyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 138997359
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
CID 71985268
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
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5-[1-(4-ethoxyphenoxy)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 94171443) is 5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is Cc1cc(CS(=O)(=O)[C@H](C)c2nc(-c3cccs3)no2)on1.
What is the InChIKey of 5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is VLFZOFHZDZGIQN-SECBINFHSA-N. The full InChI is InChI=1S/C13H13N3O4S2/c1-8-6-10(19-15-8)7-22(17,18)9(2)13-14-12(16-20-13)11-4-3-5-21-11/h3-6,9H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of 5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 339.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 94171443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).