3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C20H22FN3OS — CID 35262970

IUPAC3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)no1
InChIInChI=1S/C20H22FN3OS/c1-15-12-16(22-25-15)13-23-8-10-24(11-9-23)14-17-6-7-20(26-17)18-4-2-3-5-19(18)21/h2-7,12H,8-11,13-14H2,1H3
InChIKeyHJZXUYATPFPNMV-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.17
Rot. Bonds5

About 3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 35262970) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID35262970
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC Name3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)no1
InChIInChI=1S/C20H22FN3OS/c1-15-12-16(22-25-15)13-23-8-10-24(11-9-23)14-17-6-7-20(26-17)18-4-2-3-5-19(18)21/h2-7,12H,8-11,13-14H2,1H3
InChIKeyHJZXUYATPFPNMV-UHFFFAOYSA-N
XLogP4.17
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole 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-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 35262970) is 3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)no1.
What is the InChIKey of 3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is HJZXUYATPFPNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c1-15-12-16(22-25-15)13-23-8-10-24(11-9-23)14-17-6-7-20(26-17)18-4-2-3-5-19(18)21/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 371.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 35262970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).