5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C19H21N3O2 — CID 2960917

IUPAC5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC(Oc1ccc(C(C)(C)C)cc1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C19H21N3O2/c1-13(23-16-7-5-15(6-8-16)19(2,3)4)18-21-17(22-24-18)14-9-11-20-12-10-14/h5-13H,1-4H3
InChIKeyAPSNOEWFXGCRGK-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.57
Rot. Bonds4

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

5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 2960917) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID2960917
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC(Oc1ccc(C(C)(C)C)cc1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C19H21N3O2/c1-13(23-16-7-5-15(6-8-16)19(2,3)4)18-21-17(22-24-18)14-9-11-20-12-10-14/h5-13H,1-4H3
InChIKeyAPSNOEWFXGCRGK-UHFFFAOYSA-N
XLogP4.57
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
5-[(1R)-1-(4-bromophenoxy)ethyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1294361
3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 2203125
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2368015
N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95788948
3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 3160232
3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
CID 19658029

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 2960917) is 5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole is CC(Oc1ccc(C(C)(C)C)cc1)c1nc(-c2ccncc2)no1.
What is the InChIKey of 5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is APSNOEWFXGCRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(23-16-7-5-15(6-8-16)19(2,3)4)18-21-17(22-24-18)14-9-11-20-12-10-14/h5-13H,1-4H3.
What are the key properties of 5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 323.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2960917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).