5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole

C15H14N2O2S2 — CID 84591571

IUPAC5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole
SMILESCC(c1cccs1)S(=O)Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H14N2O2S2/c1-11(13-8-5-9-20-13)21(18)10-14-16-15(19-17-14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
InChIKeyXHFNFEOSFZWVCM-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.81
Rot. Bonds5

About 5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole

5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole (PubChem CID 84591571) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole
PubChem CID84591571
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole
SMILESCC(c1cccs1)S(=O)Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H14N2O2S2/c1-11(13-8-5-9-20-13)21(18)10-14-16-15(19-17-14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
InChIKeyXHFNFEOSFZWVCM-UHFFFAOYSA-N
XLogP3.81
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 97236376
5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 162656743
(5-phenyl-1,2,4-oxadiazol-3-yl)methanesulfinic acid
CID 59944372
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 75384744
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
(1R)-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 95277704
2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60839651
3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butanoic acid
CID 66138702
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine
CID 66219467
2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 71279247
(2R)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104875390

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole (CID 84591571) is 5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole is CC(c1cccs1)S(=O)Cc1noc(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole?
The InChIKey is XHFNFEOSFZWVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-11(13-8-5-9-20-13)21(18)10-14-16-15(19-17-14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3.
What are the key properties of 5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole?
5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole has a molecular weight of 318.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(1-thiophen-2-ylethylsulfinylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 84591571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).