3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole

C19H14Cl2N4O3 — CID 19332723

IUPAC3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1noc(-c2ccnn2COc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H14Cl2N4O3/c1-26-17-7-4-13(21)10-15(17)18-23-19(28-24-18)16-8-9-22-25(16)11-27-14-5-2-12(20)3-6-14/h2-10H,11H2,1H3
InChIKeyLSSVJRSZTXCJOS-UHFFFAOYSA-N
MW417.25 g/mol
LogP4.95
Rot. Bonds6

About 3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole

3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole (PubChem CID 19332723) has the molecular formula C19H14Cl2N4O3 and a molecular weight of 417.25 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
PubChem CID19332723
Molecular FormulaC19H14Cl2N4O3
Molecular Weight417.25 g/mol
Exact Mass416.04
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1noc(-c2ccnn2COc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H14Cl2N4O3/c1-26-17-7-4-13(21)10-15(17)18-23-19(28-24-18)16-8-9-22-25(16)11-27-14-5-2-12(20)3-6-14/h2-10H,11H2,1H3
InChIKeyLSSVJRSZTXCJOS-UHFFFAOYSA-N
XLogP4.95
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326416
3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 19332463
5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332501
3-(5-chloro-2-methoxyphenyl)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083555
1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 19332731
3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19332462
3-(5-chloro-2-methoxyphenyl)-5-[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19332642
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332620
3-(5-chloro-2-methoxyphenyl)-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083534
N-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20910064
5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332714

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole (CID 19332723) is 3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole is COc1ccc(Cl)cc1-c1noc(-c2ccnn2COc2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
The InChIKey is LSSVJRSZTXCJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O3/c1-26-17-7-4-13(21)10-15(17)18-23-19(28-24-18)16-8-9-22-25(16)11-27-14-5-2-12(20)3-6-14/h2-10H,11H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole has a molecular weight of 417.25 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 19332723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).