2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole

C20H22ClN5O — CID 53134002

IUPAC2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESCC(C)N1CCN(c2ncccc2-c2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C20H22ClN5O/c1-14(2)25-10-12-26(13-11-25)18-17(4-3-9-22-18)20-24-23-19(27-20)15-5-7-16(21)8-6-15/h3-9,14H,10-13H2,1-2H3
InChIKeyOLPOQTYTOOMMPN-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 53134002) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID53134002
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESCC(C)N1CCN(c2ncccc2-c2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C20H22ClN5O/c1-14(2)25-10-12-26(13-11-25)18-17(4-3-9-22-18)20-24-23-19(27-20)15-5-7-16(21)8-6-15/h3-9,14H,10-13H2,1-2H3
InChIKeyOLPOQTYTOOMMPN-UHFFFAOYSA-N
XLogP3.98
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Chlorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 740480
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
3-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 740478
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
1-[1-[2-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 46232564
1-[1-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 46232565
(E)-1-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimine
CID 155551683
2-Phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162649027
2-(4-Chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162656066
2-(4-Fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162659720

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole (CID 53134002) is 2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole is CC(C)N1CCN(c2ncccc2-c2nnc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is OLPOQTYTOOMMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-14(2)25-10-12-26(13-11-25)18-17(4-3-9-22-18)20-24-23-19(27-20)15-5-7-16(21)8-6-15/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 383.88 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[2-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53134002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).