5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole

C19H14ClN3O2 — CID 4613972

IUPAC5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1
InChIInChI=1S/C19H14ClN3O2/c20-15-5-9-17(10-6-15)24-13-18-21-19(22-25-18)14-3-7-16(8-4-14)23-11-1-2-12-23/h1-12H,13H2
InChIKeyPVZIHNILDYLKNG-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.76
Rot. Bonds5

About 5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole

5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 4613972) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID4613972
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1
InChIInChI=1S/C19H14ClN3O2/c20-15-5-9-17(10-6-15)24-13-18-21-19(22-25-18)14-3-7-16(8-4-14)23-11-1-2-12-23/h1-12H,13H2
InChIKeyPVZIHNILDYLKNG-UHFFFAOYSA-N
XLogP4.76
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_G(4)', 'substructure': 'N/A'}

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Related Compounds

5-[(2-Methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 874555
4-[5-(Phenoxymethyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2274654
5-[(3,4-dimethylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
CID 1504378
N-(4-{5-[1-(2,4-Dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-YL}phenyl)pyridine-4-carboxamide
CID 4457839
N-(4-{5-[(4-Chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-YL}phenyl)pyridine-3-carboxamide
CID 5085030
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
4-{5-[(2,4-Dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 700597
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-[(4-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 845228
2-{5-[(2-Chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 870497

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole (CID 4613972) is 5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole is Clc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is PVZIHNILDYLKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-15-5-9-17(10-6-15)24-13-18-21-19(22-25-18)14-3-7-16(8-4-14)23-11-1-2-12-23/h1-12H,13H2.
What are the key properties of 5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole?
5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 351.79 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 4613972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).