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

C16H14ClN5O — CID 75975200

IUPAC5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(C2CC(c3nc(-c4ccccn4)no3)NN2)cc1
InChIInChI=1S/C16H14ClN5O/c17-11-6-4-10(5-7-11)13-9-14(21-20-13)16-19-15(22-23-16)12-3-1-2-8-18-12/h1-8,13-14,20-21H,9H2
InChIKeyLJTMHBABEIGDLH-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.07
Rot. Bonds3

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

5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 75975200) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID75975200
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(C2CC(c3nc(-c4ccccn4)no3)NN2)cc1
InChIInChI=1S/C16H14ClN5O/c17-11-6-4-10(5-7-11)13-9-14(21-20-13)16-19-15(22-23-16)12-3-1-2-8-18-12/h1-8,13-14,20-21H,9H2
InChIKeyLJTMHBABEIGDLH-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-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493088
5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493089
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 75281167
5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 75975201
5-(2-methylpyrrolidin-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 79371542
3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286517
3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286454
3-(4-bromophenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286461
2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 47054231
5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
CID 19324469
4-[(1S,3S)-2,2-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
CID 130448299
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 75975200) is 5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is Clc1ccc(C2CC(c3nc(-c4ccccn4)no3)NN2)cc1.
What is the InChIKey of 5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is LJTMHBABEIGDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-11-6-4-10(5-7-11)13-9-14(21-20-13)16-19-15(22-23-16)12-3-1-2-8-18-12/h1-8,13-14,20-21H,9H2.
What are the key properties of 5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-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-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 75975200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).