5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole

C13H13FN2OS — CID 72889019

IUPAC5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCSCc1noc(C2(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C13H13FN2OS/c1-18-8-11-15-12(17-16-11)13(6-7-13)9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3
InChIKeyMUYNVUANXNLDNG-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.15
Rot. Bonds4

About 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole

5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 72889019) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID72889019
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCSCc1noc(C2(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C13H13FN2OS/c1-18-8-11-15-12(17-16-11)13(6-7-13)9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3
InChIKeyMUYNVUANXNLDNG-UHFFFAOYSA-N
XLogP3.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole (CID 72889019) is 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole is CSCc1noc(C2(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is MUYNVUANXNLDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-18-8-11-15-12(17-16-11)13(6-7-13)9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3.
What are the key properties of 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole?
5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 264.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)cyclopropyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 72889019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).