1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone

C19H19FN4O2S — CID 53162137

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone
SMILESCc1ccsc1-c1nnc(CC(=O)N2CCN(c3ccccc3F)CC2)o1
InChIInChI=1S/C19H19FN4O2S/c1-13-6-11-27-18(13)19-22-21-16(26-19)12-17(25)24-9-7-23(8-10-24)15-5-3-2-4-14(15)20/h2-6,11H,7-10,12H2,1H3
InChIKeyPKPQHAVXNJEQNW-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.14
Rot. Bonds4

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone (PubChem CID 53162137) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone
PubChem CID53162137
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone
SMILESCc1ccsc1-c1nnc(CC(=O)N2CCN(c3ccccc3F)CC2)o1
InChIInChI=1S/C19H19FN4O2S/c1-13-6-11-27-18(13)19-22-21-16(26-19)12-17(25)24-9-7-23(8-10-24)15-5-3-2-4-14(15)20/h2-6,11H,7-10,12H2,1H3
InChIKeyPKPQHAVXNJEQNW-UHFFFAOYSA-N
XLogP3.14
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110333844
N-(2,6-difluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162073
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)ethanone
CID 110648997
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
CID 110386231
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 110332735
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 110386746
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 31104889
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 46607587
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110407680
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 33177843
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 38765548

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone (CID 53162137) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone is Cc1ccsc1-c1nnc(CC(=O)N2CCN(c3ccccc3F)CC2)o1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone?
The InChIKey is PKPQHAVXNJEQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-13-6-11-27-18(13)19-22-21-16(26-19)12-17(25)24-9-7-23(8-10-24)15-5-3-2-4-14(15)20/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone has a molecular weight of 386.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanone is sourced from PubChem (CID 53162137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).