5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

C16H14ClN5O — CID 75975201

IUPAC5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESClc1cccc(C2CC(c3nc(-c4cccnc4)no3)NN2)c1
InChIInChI=1S/C16H14ClN5O/c17-12-5-1-3-10(7-12)13-8-14(21-20-13)16-19-15(22-23-16)11-4-2-6-18-9-11/h1-7,9,13-14,20-21H,8H2
InChIKeySTRPMGWSGHWSPG-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.07
Rot. Bonds3

About 5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 75975201) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID75975201
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESClc1cccc(C2CC(c3nc(-c4cccnc4)no3)NN2)c1
InChIInChI=1S/C16H14ClN5O/c17-12-5-1-3-10(7-12)13-8-14(21-20-13)16-19-15(22-23-16)11-4-2-6-18-9-11/h1-7,9,13-14,20-21H,8H2
InChIKeySTRPMGWSGHWSPG-UHFFFAOYSA-N
XLogP3.07
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 75281242
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286454
3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole
CID 67343124
5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 75975200
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107435991
2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione
CID 169409796
4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 110224506
(2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 92568402
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 699599
5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 114085802

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 75975201) is 5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is Clc1cccc(C2CC(c3nc(-c4cccnc4)no3)NN2)c1.
What is the InChIKey of 5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is STRPMGWSGHWSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-12-5-1-3-10(7-12)13-8-14(21-20-13)16-19-15(22-23-16)11-4-2-6-18-9-11/h1-7,9,13-14,20-21H,8H2.
What are the key properties of 5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 327.78 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 75975201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).