3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C18H21FN6OS — CID 126771667

IUPAC3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1nsc(N2CCN(C(C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)n1
InChIInChI=1S/C18H21FN6OS/c1-11-4-5-14(10-15(11)19)16-21-17(26-22-16)12(2)24-6-8-25(9-7-24)18-20-13(3)23-27-18/h4-5,10,12H,6-9H2,1-3H3
InChIKeyPFKKECHRTQOBMG-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.23
Rot. Bonds4

About 3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 126771667) has the molecular formula C18H21FN6OS and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID126771667
Molecular FormulaC18H21FN6OS
Molecular Weight388.47 g/mol
Exact Mass388.15
IUPAC Name3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1nsc(N2CCN(C(C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)n1
InChIInChI=1S/C18H21FN6OS/c1-11-4-5-14(10-15(11)19)16-21-17(26-22-16)12(2)24-6-8-25(9-7-24)18-20-13(3)23-27-18/h4-5,10,12H,6-9H2,1-3H3
InChIKeyPFKKECHRTQOBMG-UHFFFAOYSA-N
XLogP3.23
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-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 3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 126771667) is 3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1nsc(N2CCN(C(C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)n1.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is PFKKECHRTQOBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6OS/c1-11-4-5-14(10-15(11)19)16-21-17(26-22-16)12(2)24-6-8-25(9-7-24)18-20-13(3)23-27-18/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 388.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126771667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).