2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole

C11H11FN2O2S — CID 64715419

IUPAC2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CS(=O)c2ccccc2F)o1
InChIInChI=1S/C11H11FN2O2S/c1-2-10-13-14-11(16-10)7-17(15)9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3
InChIKeyQPKACLDOSHBSIT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.08
Rot. Bonds4

About 2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole

2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole (PubChem CID 64715419) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole
PubChem CID64715419
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CS(=O)c2ccccc2F)o1
InChIInChI=1S/C11H11FN2O2S/c1-2-10-13-14-11(16-10)7-17(15)9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3
InChIKeyQPKACLDOSHBSIT-UHFFFAOYSA-N
XLogP2.08
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole (CID 64715419) is 2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole is CCc1nnc(CS(=O)c2ccccc2F)o1.
What is the InChIKey of 2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole?
The InChIKey is QPKACLDOSHBSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-2-10-13-14-11(16-10)7-17(15)9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3.
What are the key properties of 2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole?
2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(2-fluorophenyl)sulfinylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 64715419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).