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

C15H13FN2O2S — CID 42903012

IUPAC2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
SMILESCc1occc1-c1nnc(SC(C)c2ccc(F)cc2)o1
InChIInChI=1S/C15H13FN2O2S/c1-9-13(7-8-19-9)14-17-18-15(20-14)21-10(2)11-3-5-12(16)6-4-11/h3-8,10H,1-2H3
InChIKeyHRVAZVDDMSOSLC-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.63
Rot. Bonds4

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

2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole (PubChem CID 42903012) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
PubChem CID42903012
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
SMILESCc1occc1-c1nnc(SC(C)c2ccc(F)cc2)o1
InChIInChI=1S/C15H13FN2O2S/c1-9-13(7-8-19-9)14-17-18-15(20-14)21-10(2)11-3-5-12(16)6-4-11/h3-8,10H,1-2H3
InChIKeyHRVAZVDDMSOSLC-UHFFFAOYSA-N
XLogP4.63
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole (CID 42903012) is 2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole is Cc1occc1-c1nnc(SC(C)c2ccc(F)cc2)o1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The InChIKey is HRVAZVDDMSOSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-9-13(7-8-19-9)14-17-18-15(20-14)21-10(2)11-3-5-12(16)6-4-11/h3-8,10H,1-2H3.
What are the key properties of 2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole has a molecular weight of 304.35 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 42903012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).