5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

C14H9Cl2N3O2 — CID 56901585

IUPAC5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESClc1cccc(Cl)c1OCc1nc(-c2ccccn2)no1
InChIInChI=1S/C14H9Cl2N3O2/c15-9-4-3-5-10(16)13(9)20-8-12-18-14(19-21-12)11-6-1-2-7-17-11/h1-7H,8H2
InChIKeyYWXFNMVFXQEKFP-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.02
Rot. Bonds4

About 5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 56901585) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID56901585
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESClc1cccc(Cl)c1OCc1nc(-c2ccccn2)no1
InChIInChI=1S/C14H9Cl2N3O2/c15-9-4-3-5-10(16)13(9)20-8-12-18-14(19-21-12)11-6-1-2-7-17-11/h1-7H,8H2
InChIKeyYWXFNMVFXQEKFP-UHFFFAOYSA-N
XLogP4.02
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 61036474
5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 845257
5-[4-[(2-chlorophenyl)methoxy]phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 8814544
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875727
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 75370633
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 7611454
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
CID 79273565

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 56901585) is 5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is Clc1cccc(Cl)c1OCc1nc(-c2ccccn2)no1.
What is the InChIKey of 5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is YWXFNMVFXQEKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-9-4-3-5-10(16)13(9)20-8-12-18-14(19-21-12)11-6-1-2-7-17-11/h1-7H,8H2.
What are the key properties of 5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 322.15 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56901585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).