5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole

C21H15ClN2O2 — CID 42692446

IUPAC5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
SMILESClc1cccc(-c2nc(COc3ccccc3-c3ccccc3)no2)c1
InChIInChI=1S/C21H15ClN2O2/c22-17-10-6-9-16(13-17)21-23-20(24-26-21)14-25-19-12-5-4-11-18(19)15-7-2-1-3-8-15/h1-13H,14H2
InChIKeyDMCWZYRPRAMJRM-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.64
Rot. Bonds5

About 5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole

5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 42692446) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID42692446
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
SMILESClc1cccc(-c2nc(COc3ccccc3-c3ccccc3)no2)c1
InChIInChI=1S/C21H15ClN2O2/c22-17-10-6-9-16(13-17)21-23-20(24-26-21)14-25-19-12-5-4-11-18(19)15-7-2-1-3-8-15/h1-13H,14H2
InChIKeyDMCWZYRPRAMJRM-UHFFFAOYSA-N
XLogP5.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 78848420
3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide
CID 155535519
5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 42692313
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 42692407
3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole
CID 42692356
3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 42692377
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 36506760
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 42692478
1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone
CID 38859705
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate
CID 151970918

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole (CID 42692446) is 5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole is Clc1cccc(-c2nc(COc3ccccc3-c3ccccc3)no2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is DMCWZYRPRAMJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c22-17-10-6-9-16(13-17)21-23-20(24-26-21)14-25-19-12-5-4-11-18(19)15-7-2-1-3-8-15/h1-13H,14H2.
What are the key properties of 5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole?
5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 362.82 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42692446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).