5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C14H9BrClN3O2 — CID 1367387

IUPAC5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(-c3ccncc3)no2)c(Br)c1
InChIInChI=1S/C14H9BrClN3O2/c15-11-7-10(16)1-2-12(11)20-8-13-18-14(19-21-13)9-3-5-17-6-4-9/h1-7H,8H2
InChIKeyFWRKMEXDRFDCQI-UHFFFAOYSA-N
MW366.60 g/mol
LogP4.13
Rot. Bonds4

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

5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 1367387) has the molecular formula C14H9BrClN3O2 and a molecular weight of 366.60 g/mol. Its IUPAC name is 5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID1367387
Molecular FormulaC14H9BrClN3O2
Molecular Weight366.60 g/mol
Exact Mass364.96
IUPAC Name5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(-c3ccncc3)no2)c(Br)c1
InChIInChI=1S/C14H9BrClN3O2/c15-11-7-10(16)1-2-12(11)20-8-13-18-14(19-21-13)9-3-5-17-6-4-9/h1-7H,8H2
InChIKeyFWRKMEXDRFDCQI-UHFFFAOYSA-N
XLogP4.13
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-{5-[(2-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 874555
4-[5-(Phenoxymethyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2274654
5-[(2-Bromo-4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 2269543
4-{5-[(4-Chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 793956
4-{5-[(4-Chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 870479
5-[(2-Bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 664814
4-{5-[(2,4-Dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 700597
3-{5-[(4-Bromo-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 753475
5-[(2-Chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 829956
3-{5-[(3-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 845224
2-{5-[(2-Chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 870497
5-[(2-Bromo-4-chlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 1366543

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 1367387) is 5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole is Clc1ccc(OCc2nc(-c3ccncc3)no2)c(Br)c1.
What is the InChIKey of 5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is FWRKMEXDRFDCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O2/c15-11-7-10(16)1-2-12(11)20-8-13-18-14(19-21-13)9-3-5-17-6-4-9/h1-7H,8H2.
What are the key properties of 5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 366.60 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 1367387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).