5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C16H15N3O2 — CID 7233187

IUPAC5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(O[C@H](C)c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C16H15N3O2/c1-11-3-5-14(6-4-11)20-12(2)16-18-15(19-21-16)13-7-9-17-10-8-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyHWBLRRAHNBJSPB-GFCCVEGCSA-N
MW281.31 g/mol
LogP3.58
Rot. Bonds4

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

5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 7233187) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID7233187
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(O[C@H](C)c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C16H15N3O2/c1-11-3-5-14(6-4-11)20-12(2)16-18-15(19-21-16)13-7-9-17-10-8-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyHWBLRRAHNBJSPB-GFCCVEGCSA-N
XLogP3.58
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
5-[1-(4-tert-butylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2960917
3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 3160232
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-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
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
3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
CID 19658029
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2233921

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 7233187) is 5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole is Cc1ccc(O[C@H](C)c2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is HWBLRRAHNBJSPB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-3-5-14(6-4-11)20-12(2)16-18-15(19-21-16)13-7-9-17-10-8-13/h3-10,12H,1-2H3/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 281.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 7233187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).