(2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone

C21H19ClFN5O2 — CID 87050193

IUPAC(2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1Cl)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1
InChIInChI=1S/C21H19ClFN5O2/c22-17-6-5-14(23)12-16(17)21(29)28-10-8-27(9-11-28)18-15(2-1-7-24-18)20-26-25-19(30-20)13-3-4-13/h1-2,5-7,12-13H,3-4,8-11H2
InChIKeyVMKVHSJFXYERPW-UHFFFAOYSA-N
MW427.87 g/mol
LogP3.76
Rot. Bonds4

About (2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone

(2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 87050193) has the molecular formula C21H19ClFN5O2 and a molecular weight of 427.87 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID87050193
Molecular FormulaC21H19ClFN5O2
Molecular Weight427.87 g/mol
Exact Mass427.12
IUPAC Name(2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1Cl)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1
InChIInChI=1S/C21H19ClFN5O2/c22-17-6-5-14(23)12-16(17)21(29)28-10-8-27(9-11-28)18-15(2-1-7-24-18)20-26-25-19(30-20)13-3-4-13/h1-2,5-7,12-13H,3-4,8-11H2
InChIKeyVMKVHSJFXYERPW-UHFFFAOYSA-N
XLogP3.76
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone 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

2-chloro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4058147
2-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
CID 11856830
8-(4-{4-[3-(5-Methyl-[1,3,4]oxadiazol-2-yl)-pyridin-2-yl]-piperazin-1-yl}-butyl)-8-aza-spiro[4.5]decane-7,9-dione
CID 13771049
2-[[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 2998677
1-[1-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 46232563
2-(4-Chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162656066
2-(2,4-Difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162657748
2-(4-Fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162659720
4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 71015560
4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380957
2-(3-Chlorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 15990121
5-[5-(5-Chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-YL]-2-(1H-imidazol-1-YL)pyridine
CID 53183273

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (CID 87050193) is (2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1cc(F)ccc1Cl)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is VMKVHSJFXYERPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O2/c22-17-6-5-14(23)12-16(17)21(29)28-10-8-27(9-11-28)18-15(2-1-7-24-18)20-26-25-19(30-20)13-3-4-13/h1-2,5-7,12-13H,3-4,8-11H2.
What are the key properties of (2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
(2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 427.87 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 87050193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).