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

C16H14ClF3N4O2 — CID 19332623

IUPAC3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1noc(C(C)n2nc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C16H14ClF3N4O2/c1-8-6-13(16(18,19)20)22-24(8)9(2)15-21-14(23-26-15)11-7-10(17)4-5-12(11)25-3/h4-7,9H,1-3H3
InChIKeyVEQGFUDBEZGKKS-UHFFFAOYSA-N
MW386.76 g/mol
LogP4.53
Rot. Bonds4

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

3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 19332623) has the molecular formula C16H14ClF3N4O2 and a molecular weight of 386.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID19332623
Molecular FormulaC16H14ClF3N4O2
Molecular Weight386.76 g/mol
Exact Mass386.08
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1noc(C(C)n2nc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C16H14ClF3N4O2/c1-8-6-13(16(18,19)20)22-24(8)9(2)15-21-14(23-26-15)11-7-10(17)4-5-12(11)25-3/h4-7,9H,1-3H3
InChIKeyVEQGFUDBEZGKKS-UHFFFAOYSA-N
XLogP4.53
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332714
5-(1-bromopropyl)-3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 106818575
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
4-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 106818844
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)-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 19332463
5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332501
(1R)-1-[3-(5-chloro-2-propoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 129450963
5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326681
(1S)-1-[3-(5-chloro-2-propoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 129450964
(1S)-1-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145196

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole (CID 19332623) is 3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole is COc1ccc(Cl)cc1-c1noc(C(C)n2nc(C(F)(F)F)cc2C)n1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is VEQGFUDBEZGKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O2/c1-8-6-13(16(18,19)20)22-24(8)9(2)15-21-14(23-26-15)11-7-10(17)4-5-12(11)25-3/h4-7,9H,1-3H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole?
3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 386.76 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 19332623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).