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

C22H22ClN5O2 — CID 67144015

IUPAC5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1cc(-c2noc(-c3cc(-c4ccccc4Cl)nn3CC)n2)c(C)nc1OC
InChIInChI=1S/C22H22ClN5O2/c1-5-14-11-16(13(3)24-21(14)29-4)20-25-22(30-27-20)19-12-18(26-28(19)6-2)15-9-7-8-10-17(15)23/h7-12H,5-6H2,1-4H3
InChIKeyWSUQRYKBKPCRQW-UHFFFAOYSA-N
MW423.90 g/mol
LogP5.21
Rot. Bonds6

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

5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 67144015) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID67144015
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1cc(-c2noc(-c3cc(-c4ccccc4Cl)nn3CC)n2)c(C)nc1OC
InChIInChI=1S/C22H22ClN5O2/c1-5-14-11-16(13(3)24-21(14)29-4)20-25-22(30-27-20)19-12-18(26-28(19)6-2)15-9-7-8-10-17(15)23/h7-12H,5-6H2,1-4H3
InChIKeyWSUQRYKBKPCRQW-UHFFFAOYSA-N
XLogP5.21
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole
CID 123171021
3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole
CID 67492482
2-[4-[5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]acetaldehyde
CID 87285465
5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 1294892
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2017608
3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid
CID 67143292
3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332723
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 170278718
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 665429

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole (CID 67144015) is 5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole is CCc1cc(-c2noc(-c3cc(-c4ccccc4Cl)nn3CC)n2)c(C)nc1OC.
What is the InChIKey of 5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is WSUQRYKBKPCRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-5-14-11-16(13(3)24-21(14)29-4)20-25-22(30-27-20)19-12-18(26-28(19)6-2)15-9-7-8-10-17(15)23/h7-12H,5-6H2,1-4H3.
What are the key properties of 5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole?
5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 423.90 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 67144015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).