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

C16H13ClN2O3 — CID 2988397

IUPAC5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(COc3ccccc3Cl)n2)c1
InChIInChI=1S/C16H13ClN2O3/c1-20-12-6-4-5-11(9-12)16-18-15(22-19-16)10-21-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3
InChIKeyVLNXHPHZKXZXMB-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.98
Rot. Bonds5

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

5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 2988397) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID2988397
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(COc3ccccc3Cl)n2)c1
InChIInChI=1S/C16H13ClN2O3/c1-20-12-6-4-5-11(9-12)16-18-15(22-19-16)10-21-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3
InChIKeyVLNXHPHZKXZXMB-UHFFFAOYSA-N
XLogP3.98
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 2991054
3-Chloro-5-[2-chloro-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]benzonitrile
CID 16045337
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide
CID 16483731
5-[(4-Chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 699769
5-[(2-Methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 705847
3-(4-Chlorobenzyl)-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 868109
5-[(2,4-Dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 876417
3-(4-Chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 886632
5-[3-(2,4-Dichlorophenoxy)propyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 1859141
5-[3-(2,4-Dichlorophenoxy)propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 2215853
2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2985700
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(2-methoxyphenoxy)-N-(propan-2-yl)acetamide
CID 3159108

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 2988397) is 5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc(COc3ccccc3Cl)n2)c1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is VLNXHPHZKXZXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-20-12-6-4-5-11(9-12)16-18-15(22-19-16)10-21-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3.
What are the key properties of 5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 316.74 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2988397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).