5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole

C10H8ClN3O — CID 53353035

IUPAC5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
SMILESClc1cc(-c2nc(C3CC3)no2)ccn1
InChIInChI=1S/C10H8ClN3O/c11-8-5-7(3-4-12-8)10-13-9(14-15-10)6-1-2-6/h3-6H,1-2H2
InChIKeySEEMEXLUAWPLPF-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.66
Rot. Bonds2

About 5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole

5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole (PubChem CID 53353035) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
PubChem CID53353035
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
SMILESClc1cc(-c2nc(C3CC3)no2)ccn1
InChIInChI=1S/C10H8ClN3O/c11-8-5-7(3-4-12-8)10-13-9(14-15-10)6-1-2-6/h3-6H,1-2H2
InChIKeySEEMEXLUAWPLPF-UHFFFAOYSA-N
XLogP2.66
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324958
5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
CID 97058010
3-tert-butyl-5-(2-chloro-4-pyridinyl)-1,2,4-oxadiazole
CID 53353034
3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole
CID 113382393
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524833
N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97456824
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 55237242
2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline
CID 82830646
3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine
CID 138014323
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732351
3-[(3S)-oxolan-3-yl]-5-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 97437113
4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 80619993

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole (CID 53353035) is 5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole is Clc1cc(-c2nc(C3CC3)no2)ccn1.
What is the InChIKey of 5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is SEEMEXLUAWPLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-8-5-7(3-4-12-8)10-13-9(14-15-10)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole?
5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 221.65 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 53353035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).