2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole

C15H14N2O3S2 — CID 94133836

IUPAC2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole
SMILESCc1occc1-c1nnc(SCC[S@@](=O)c2ccccc2)o1
InChIInChI=1S/C15H14N2O3S2/c1-11-13(7-8-19-11)14-16-17-15(20-14)21-9-10-22(18)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3/t22-/m1/s1
InChIKeyRIFANMUNNZBBNF-JOCHJYFZSA-N
MW334.42 g/mol
LogP3.54
Rot. Bonds6

About 2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole

2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole (PubChem CID 94133836) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole
PubChem CID94133836
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole
SMILESCc1occc1-c1nnc(SCC[S@@](=O)c2ccccc2)o1
InChIInChI=1S/C15H14N2O3S2/c1-11-13(7-8-19-11)14-16-17-15(20-14)21-9-10-22(18)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3/t22-/m1/s1
InChIKeyRIFANMUNNZBBNF-JOCHJYFZSA-N
XLogP3.54
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 6473393
3-[2-(benzenesulfinyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
CID 71895382
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 78763880
2-(2-methylfuran-3-yl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 16611496
1-[2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]phenyl]ethanone
CID 17441799
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 3386629
tert-butyl 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 78763965
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 42894215
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide
CID 9404661
2-(4-bromophenyl)-5-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 29338368
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 9404785
2-(2-methylfuran-3-yl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 29312294

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole (CID 94133836) is 2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole is Cc1occc1-c1nnc(SCC[S@@](=O)c2ccccc2)o1.
What is the InChIKey of 2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is RIFANMUNNZBBNF-JOCHJYFZSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-11-13(7-8-19-11)14-16-17-15(20-14)21-9-10-22(18)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3/t22-/m1/s1.
What are the key properties of 2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole?
2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)-5-[2-[(R)-phenylsulfinyl]ethylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 94133836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).