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

C10H9FN2O2S — CID 64716915

IUPAC2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CS(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C10H9FN2O2S/c1-7-12-13-10(15-7)6-16(14)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3
InChIKeyDPHMOCSLIUZRCO-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.82
Rot. Bonds3

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

2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 64716915) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID64716915
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CS(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C10H9FN2O2S/c1-7-12-13-10(15-7)6-16(14)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3
InChIKeyDPHMOCSLIUZRCO-UHFFFAOYSA-N
XLogP1.82
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole (CID 64716915) is 2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(CS(=O)c2ccc(F)cc2)o1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is DPHMOCSLIUZRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c1-7-12-13-10(15-7)6-16(14)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole?
2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 240.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 64716915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).