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

C17H15ClN2O3 — CID 7385204

IUPAC5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc([C@H](C)Oc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C17H15ClN2O3/c1-11(22-15-8-4-6-13(18)10-15)17-19-16(20-23-17)12-5-3-7-14(9-12)21-2/h3-11H,1-2H3/t11-/m0/s1
InChIKeyWDNGGFMFIDOUJG-NSHDSACASA-N
MW330.77 g/mol
LogP4.54
Rot. Bonds5

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

5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 7385204) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID7385204
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc([C@H](C)Oc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C17H15ClN2O3/c1-11(22-15-8-4-6-13(18)10-15)17-19-16(20-23-17)12-5-3-7-14(9-12)21-2/h3-11H,1-2H3/t11-/m0/s1
InChIKeyWDNGGFMFIDOUJG-NSHDSACASA-N
XLogP4.54
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-5-[(1R)-1-phenoxyethyl]-1,2,4-oxadiazole
CID 7356906
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895376
3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 1313859
5-[1-(3-chlorophenoxy)ethyl]-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53012119
5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 6472807
5-[(1R)-1-(3-chlorophenoxy)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 895311
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 96571111
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 112571524
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 7321005

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 7385204) is 5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc([C@H](C)Oc3cccc(Cl)c3)n2)c1.
What is the InChIKey of 5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is WDNGGFMFIDOUJG-NSHDSACASA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-11(22-15-8-4-6-13(18)10-15)17-19-16(20-23-17)12-5-3-7-14(9-12)21-2/h3-11H,1-2H3/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 330.77 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 7385204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).