2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

C21H15ClF3N5O2 — CID 162660586

IUPAC2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
SMILESCc1noc(-c2cnn(-c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)c2C(F)(F)F)n1
InChIInChI=1S/C21H15ClF3N5O2/c1-12-27-20(32-29-12)17-11-26-30(19(17)21(23,24)25)16-8-6-15(7-9-16)28-18(31)10-13-2-4-14(22)5-3-13/h2-9,11H,10H2,1H3,(H,28,31)
InChIKeySXDFFGQZFLMZJB-UHFFFAOYSA-N
MW461.83 g/mol
LogP5.08
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide (PubChem CID 162660586) has the molecular formula C21H15ClF3N5O2 and a molecular weight of 461.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
PubChem CID162660586
Molecular FormulaC21H15ClF3N5O2
Molecular Weight461.83 g/mol
Exact Mass461.09
IUPAC Name2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
SMILESCc1noc(-c2cnn(-c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)c2C(F)(F)F)n1
InChIInChI=1S/C21H15ClF3N5O2/c1-12-27-20(32-29-12)17-11-26-30(19(17)21(23,24)25)16-8-6-15(7-9-16)28-18(31)10-13-2-4-14(22)5-3-13/h2-9,11H,10H2,1H3,(H,28,31)
InChIKeySXDFFGQZFLMZJB-UHFFFAOYSA-N
XLogP5.08
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.83
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Chlorophenyl)-5-[1-(4-nitro-phenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 2808401
3-(4-Chlorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 2807982
3-(2,5-Difluorophenyl)-5-[1-(2-methylphenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole
CID 49835584
3-(2,5-Difluorophenyl)-5-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole
CID 66795374
3-(2,5-Difluorophenyl)-5-(1,5-diphenylpyrazol-4-yl)-1,2,4-oxadiazole
CID 66795493
4-cyano-3-fluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
CID 162649938
N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-nitrobenzamide
CID 162660816
N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide
CID 162676458
2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
CID 162676483
3-(4-chlorophenyl)-5-(3-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
CID 2805338
N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 162645725
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
CID 162650599

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide (CID 162660586) is 2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide is Cc1noc(-c2cnn(-c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)c2C(F)(F)F)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The InChIKey is SXDFFGQZFLMZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O2/c1-12-27-20(32-29-12)17-11-26-30(19(17)21(23,24)25)16-8-6-15(7-9-16)28-18(31)10-13-2-4-14(22)5-3-13/h2-9,11H,10H2,1H3,(H,28,31).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide has a molecular weight of 461.83 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 162660586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).