5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole

C14H11ClN2O4S — CID 2819964

IUPAC5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(-c2ccc(Cl)cc2)n1)Cc1ccco1
InChIInChI=1S/C14H11ClN2O4S/c15-11-5-3-10(4-6-11)14-16-13(17-21-14)9-22(18,19)8-12-2-1-7-20-12/h1-7H,8-9H2
InChIKeyHPJFSCRISBQBMV-UHFFFAOYSA-N
MW338.77 g/mol
LogP3.10
Rot. Bonds5

About 5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole

5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole (PubChem CID 2819964) has the molecular formula C14H11ClN2O4S and a molecular weight of 338.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole
PubChem CID2819964
Molecular FormulaC14H11ClN2O4S
Molecular Weight338.77 g/mol
Exact Mass338.01
IUPAC Name5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(-c2ccc(Cl)cc2)n1)Cc1ccco1
InChIInChI=1S/C14H11ClN2O4S/c15-11-5-3-10(4-6-11)14-16-13(17-21-14)9-22(18,19)8-12-2-1-7-20-12/h1-7H,8-9H2
InChIKeyHPJFSCRISBQBMV-UHFFFAOYSA-N
XLogP3.10
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole
CID 2819966
5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole
CID 55746494
5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]pentan-1-ol
CID 111104870
3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]-2-methylpropan-1-ol
CID 111469816
3-[(4-chlorophenyl)sulfonylmethyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2743806
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55704982
3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 2259107
3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-1-amine
CID 115079419
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanamine
CID 43249354
4-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53056040
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetic acid
CID 43442524
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111354265

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole (CID 2819964) is 5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole is O=S(=O)(Cc1noc(-c2ccc(Cl)cc2)n1)Cc1ccco1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole?
The InChIKey is HPJFSCRISBQBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S/c15-11-5-3-10(4-6-11)14-16-13(17-21-14)9-22(18,19)8-12-2-1-7-20-12/h1-7H,8-9H2.
What are the key properties of 5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole has a molecular weight of 338.77 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2819964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).