3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide

C17H17ClF3N3O2 — CID 26333645

IUPAC3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCC(F)(F)F
InChIInChI=1S/C17H17ClF3N3O2/c18-12-4-2-11(3-5-12)16(8-1-9-16)15-24-23-14(26-15)7-6-13(25)22-10-17(19,20)21/h2-5H,1,6-10H2,(H,22,25)
InChIKeyWHLCBNZTLBXCAB-UHFFFAOYSA-N
MW387.79 g/mol
LogP3.80
Rot. Bonds6

About 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide

3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 26333645) has the molecular formula C17H17ClF3N3O2 and a molecular weight of 387.79 g/mol. Its IUPAC name is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID26333645
Molecular FormulaC17H17ClF3N3O2
Molecular Weight387.79 g/mol
Exact Mass387.10
IUPAC Name3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCC(F)(F)F
InChIInChI=1S/C17H17ClF3N3O2/c18-12-4-2-11(3-5-12)16(8-1-9-16)15-24-23-14(26-15)7-6-13(25)22-10-17(19,20)21/h2-5H,1,6-10H2,(H,22,25)
InChIKeyWHLCBNZTLBXCAB-UHFFFAOYSA-N
XLogP3.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 26333645) is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCC(F)(F)F.
What is the InChIKey of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is WHLCBNZTLBXCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O2/c18-12-4-2-11(3-5-12)16(8-1-9-16)15-24-23-14(26-15)7-6-13(25)22-10-17(19,20)21/h2-5H,1,6-10H2,(H,22,25).
What are the key properties of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 387.79 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 26333645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).