3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole

C17H16ClN3O2 — CID 913867

IUPAC3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(C(C)C)n1
InChIInChI=1S/C17H16ClN3O2/c1-10(2)16-20-15(21-23-16)13-8-9-14(19-17(13)22-3)11-4-6-12(18)7-5-11/h4-10H,1-3H3
InChIKeyNQFABXBQUCDJHY-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.58
Rot. Bonds4

About 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole

3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 913867) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID913867
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(C(C)C)n1
InChIInChI=1S/C17H16ClN3O2/c1-10(2)16-20-15(21-23-16)13-8-9-14(19-17(13)22-3)11-4-6-12(18)7-5-11/h4-10H,1-3H3
InChIKeyNQFABXBQUCDJHY-UHFFFAOYSA-N
XLogP4.58
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 664211
5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2017608
5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 1294892
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 664083
5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 913837
3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole
CID 913836
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 1297936
5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 2005312
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 664499
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 664819
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
6-(4-chlorophenyl)-2-methoxypyridin-3-amine
CID 105495503

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole (CID 913867) is 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole is COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(C(C)C)n1.
What is the InChIKey of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is NQFABXBQUCDJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10(2)16-20-15(21-23-16)13-8-9-14(19-17(13)22-3)11-4-6-12(18)7-5-11/h4-10H,1-3H3.
What are the key properties of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 329.79 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 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 913867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).