5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C20H23FN4OS — CID 87015676

IUPAC5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(N2CCCN(CCCc3nc(-c4cccs4)no3)CC2)cc1
InChIInChI=1S/C20H23FN4OS/c21-16-6-8-17(9-7-16)25-12-3-11-24(13-14-25)10-1-5-19-22-20(23-26-19)18-4-2-15-27-18/h2,4,6-9,15H,1,3,5,10-14H2
InChIKeyYVUGXWKVTOXHKK-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.08
Rot. Bonds6

About 5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 87015676) has the molecular formula C20H23FN4OS and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID87015676
Molecular FormulaC20H23FN4OS
Molecular Weight386.50 g/mol
Exact Mass386.16
IUPAC Name5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(N2CCCN(CCCc3nc(-c4cccs4)no3)CC2)cc1
InChIInChI=1S/C20H23FN4OS/c21-16-6-8-17(9-7-16)25-12-3-11-24(13-14-25)10-1-5-19-22-20(23-26-19)18-4-2-15-27-18/h2,4,6-9,15H,1,3,5,10-14H2
InChIKeyYVUGXWKVTOXHKK-UHFFFAOYSA-N
XLogP4.08
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 8967237
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 43935008
[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]methanol
CID 60500930
3-(5-bromothiophen-2-yl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 86951882
5-[3-(3-methylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 65448841
5-[3-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78829542
5-[3-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 86874372
5-[3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 34908198
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 28737412
5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 112803330
(4-methylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 51263051

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 87015676) is 5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole is Fc1ccc(N2CCCN(CCCc3nc(-c4cccs4)no3)CC2)cc1.
What is the InChIKey of 5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is YVUGXWKVTOXHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS/c21-16-6-8-17(9-7-16)25-12-3-11-24(13-14-25)10-1-5-19-22-20(23-26-19)18-4-2-15-27-18/h2,4,6-9,15H,1,3,5,10-14H2.
What are the key properties of 5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 386.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 87015676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).