3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole

C13H8Cl2N2O2S — CID 30746797

IUPAC3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESClc1ccc(Cl)c(SCc2noc(-c3ccco3)n2)c1
InChIInChI=1S/C13H8Cl2N2O2S/c14-8-3-4-9(15)11(6-8)20-7-12-16-13(19-17-12)10-2-1-5-18-10/h1-6H,7H2
InChIKeyCDAQOOXHBRDVPI-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.93
Rot. Bonds4

About 3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole

3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 30746797) has the molecular formula C13H8Cl2N2O2S and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID30746797
Molecular FormulaC13H8Cl2N2O2S
Molecular Weight327.19 g/mol
Exact Mass325.97
IUPAC Name3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESClc1ccc(Cl)c(SCc2noc(-c3ccco3)n2)c1
InChIInChI=1S/C13H8Cl2N2O2S/c14-8-3-4-9(15)11(6-8)20-7-12-16-13(19-17-12)10-2-1-5-18-10/h1-6H,7H2
InChIKeyCDAQOOXHBRDVPI-UHFFFAOYSA-N
XLogP4.93
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43305771
2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-methoxyaniline
CID 79515206
(1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol
CID 95139630
5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63090088
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 50973647
3-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 66142384
3-[[4-cyclopropyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazole
CID 10046353
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43248934
4-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 79527905
1-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115078718
2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline
CID 10303161
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(furan-2-yl)ethanamine
CID 22327625

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole (CID 30746797) is 3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole is Clc1ccc(Cl)c(SCc2noc(-c3ccco3)n2)c1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is CDAQOOXHBRDVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S/c14-8-3-4-9(15)11(6-8)20-7-12-16-13(19-17-12)10-2-1-5-18-10/h1-6H,7H2.
What are the key properties of 3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole?
3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 327.19 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 30746797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).