5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide

C18H14F3N3O2 — CID 173118652

IUPAC5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15-23-17(16(22)25)24-26-15/h1-2,4-9H,3,10H2,(H2,22,25)
InChIKeyZOUVMYQHSSIHGK-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.64
Rot. Bonds5

About 5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide

5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 173118652) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID173118652
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15-23-17(16(22)25)24-26-15/h1-2,4-9H,3,10H2,(H2,22,25)
InChIKeyZOUVMYQHSSIHGK-UHFFFAOYSA-N
XLogP3.64
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 173118652) is 5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n1.
What is the InChIKey of 5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZOUVMYQHSSIHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15-23-17(16(22)25)24-26-15/h1-2,4-9H,3,10H2,(H2,22,25).
What are the key properties of 5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?
5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 173118652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).