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

C15H11Cl2N3O2 — CID 2368015

IUPAC5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)no1
InChIInChI=1S/C15H11Cl2N3O2/c1-9(21-13-3-2-11(16)8-12(13)17)15-19-14(20-22-15)10-4-6-18-7-5-10/h2-9H,1H3/t9-/m0/s1
InChIKeyYPQLBYYWOADFLQ-VIFPVBQESA-N
MW336.18 g/mol
LogP4.58
Rot. Bonds4

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

5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 2368015) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID2368015
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)no1
InChIInChI=1S/C15H11Cl2N3O2/c1-9(21-13-3-2-11(16)8-12(13)17)15-19-14(20-22-15)10-4-6-18-7-5-10/h2-9H,1H3/t9-/m0/s1
InChIKeyYPQLBYYWOADFLQ-VIFPVBQESA-N
XLogP4.58
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.58
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-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 71212790
5-[1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 2912632
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895376
N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
CID 2202607
N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
CID 2952777
N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 2951958
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
1-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861132
1-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853160
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2960917

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 2368015) is 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole is C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)no1.
What is the InChIKey of 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is YPQLBYYWOADFLQ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-9(21-13-3-2-11(16)8-12(13)17)15-19-14(20-22-15)10-4-6-18-7-5-10/h2-9H,1H3/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 336.18 g/mol, XLogP of 4.58, 4 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-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2368015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).