5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole

C14H16ClN5O — CID 10214985

IUPAC5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(N3CCN4CCC3CC4)no2)cn1
InChIInChI=1S/C14H16ClN5O/c15-12-2-1-10(9-16-12)13-17-14(18-21-13)20-8-7-19-5-3-11(20)4-6-19/h1-2,9,11H,3-8H2
InChIKeyFPFXVUGZIHBXIJ-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.07
Rot. Bonds2

About 5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole

5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole (PubChem CID 10214985) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole
PubChem CID10214985
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(N3CCN4CCC3CC4)no2)cn1
InChIInChI=1S/C14H16ClN5O/c15-12-2-1-10(9-16-12)13-17-14(18-21-13)20-8-7-19-5-3-11(20)4-6-19/h1-2,9,11H,3-8H2
InChIKeyFPFXVUGZIHBXIJ-UHFFFAOYSA-N
XLogP2.07
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 10214797
5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
CID 20594130
2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
CID 10040739
5-(6-chloro-3-pyridinyl)-3-(2,5-dichlorophenyl)-1,2,4-oxadiazole
CID 97057991
5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 30028861
5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1472030
2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride
CID 67281212
5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 97057988
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63260076
1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 56769930
(2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
CID 45221148
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole
CID 135516669

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole (CID 10214985) is 5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole is Clc1ccc(-c2nc(N3CCN4CCC3CC4)no2)cn1.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole?
The InChIKey is FPFXVUGZIHBXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-12-2-1-10(9-16-12)13-17-14(18-21-13)20-8-7-19-5-3-11(20)4-6-19/h1-2,9,11H,3-8H2.
What are the key properties of 5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole?
5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole has a molecular weight of 305.77 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 10214985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).