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

C21H20ClN5O2 — CID 123171021

IUPAC5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCn1nc(-c2nc(-c3cc(C)c(OC)nc3C)no2)cc1-c1ccccc1Cl
InChIInChI=1S/C21H20ClN5O2/c1-5-27-18(14-8-6-7-9-16(14)22)11-17(25-27)21-24-19(26-29-21)15-10-12(2)20(28-4)23-13(15)3/h6-11H,5H2,1-4H3
InChIKeyOALDFGQDYYBRCW-UHFFFAOYSA-N
MW409.88 g/mol
LogP4.96
Rot. Bonds5

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

5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 123171021) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID123171021
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCn1nc(-c2nc(-c3cc(C)c(OC)nc3C)no2)cc1-c1ccccc1Cl
InChIInChI=1S/C21H20ClN5O2/c1-5-27-18(14-8-6-7-9-16(14)22)11-17(25-27)21-24-19(26-29-21)15-10-12(2)20(28-4)23-13(15)3/h6-11H,5H2,1-4H3
InChIKeyOALDFGQDYYBRCW-UHFFFAOYSA-N
XLogP4.96
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(2-chlorophenyl)-1-ethylpyrazol-5-yl]-3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 67144015
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
5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2017608
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
3-(3-chloro-2-methoxyphenyl)-5-(5-methylimidazo[1,5-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 166360091
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 71689313
(6S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-ethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125126174
3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole
CID 67492482
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 665429
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 4896075

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole (CID 123171021) is 5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole is CCn1nc(-c2nc(-c3cc(C)c(OC)nc3C)no2)cc1-c1ccccc1Cl.
What is the InChIKey of 5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is OALDFGQDYYBRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-5-27-18(14-8-6-7-9-16(14)22)11-17(25-27)21-24-19(26-29-21)15-10-12(2)20(28-4)23-13(15)3/h6-11H,5H2,1-4H3.
What are the key properties of 5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole?
5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 409.88 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-chlorophenyl)-1-ethylpyrazol-3-yl]-3-(6-methoxy-2,5-dimethyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 123171021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).