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

C22H16FN5O3S — CID 172898400

IUPAC5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1
InChIInChI=1S/C22H16FN5O3S/c23-15-5-3-14(4-6-15)18-12-16(26-31-18)21(29)27-7-9-28(10-8-27)22-17(13-24)25-20(30-22)19-2-1-11-32-19/h1-6,11-12H,7-10H2
InChIKeyDOCRPALXZITCAS-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.03
Rot. Bonds4

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

5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 172898400) has the molecular formula C22H16FN5O3S and a molecular weight of 449.47 g/mol. Its IUPAC name is 5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID172898400
Molecular FormulaC22H16FN5O3S
Molecular Weight449.47 g/mol
Exact Mass449.10
IUPAC Name5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1
InChIInChI=1S/C22H16FN5O3S/c23-15-5-3-14(4-6-15)18-12-16(26-31-18)21(29)27-7-9-28(10-8-27)22-17(13-24)25-20(30-22)19-2-1-11-32-19/h1-6,11-12H,7-10H2
InChIKeyDOCRPALXZITCAS-UHFFFAOYSA-N
XLogP4.03
TPSA99.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile 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-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 172898400) is 5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccs2)oc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1.
What is the InChIKey of 5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is DOCRPALXZITCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O3S/c23-15-5-3-14(4-6-15)18-12-16(26-31-18)21(29)27-7-9-28(10-8-27)22-17(13-24)25-20(30-22)19-2-1-11-32-19/h1-6,11-12H,7-10H2.
What are the key properties of 5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 449.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 172898400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).