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

C17H14Cl2N2O3 — CID 8895376

IUPAC5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc([C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C17H14Cl2N2O3/c1-10(23-15-7-6-12(18)9-14(15)19)17-20-16(21-24-17)11-4-3-5-13(8-11)22-2/h3-10H,1-2H3/t10-/m0/s1
InChIKeyRFXAJBXXAIKUDP-JTQLQIEISA-N
MW365.22 g/mol
LogP5.19
Rot. Bonds5

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

5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 8895376) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID8895376
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc([C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C17H14Cl2N2O3/c1-10(23-15-7-6-12(18)9-14(15)19)17-20-16(21-24-17)11-4-3-5-13(8-11)22-2/h3-10H,1-2H3/t10-/m0/s1
InChIKeyRFXAJBXXAIKUDP-JTQLQIEISA-N
XLogP5.19
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.22
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 7321005
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 7385204
5-[1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 2912632
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2368015
3-(3-methoxyphenyl)-5-[(1R)-1-phenoxyethyl]-1,2,4-oxadiazole
CID 7356906
5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 71212790
N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 2951958
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 2203125
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 1313859
5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 6472807

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 8895376) is 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc([C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1.
What is the InChIKey of 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is RFXAJBXXAIKUDP-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-10(23-15-7-6-12(18)9-14(15)19)17-20-16(21-24-17)11-4-3-5-13(8-11)22-2/h3-10H,1-2H3/t10-/m0/s1.
What are the key properties of 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 365.22 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 8895376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).