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

C15H16F3N3O2 — CID 42394452

IUPAC3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCc1nnc(CCc2ccccc2)o1)NCC(F)(F)F
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)10-19-12(22)7-9-14-21-20-13(23-14)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,22)
InChIKeyCZXKHVPJOLHROT-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.47
Rot. Bonds7

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

3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 42394452) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID42394452
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCc1nnc(CCc2ccccc2)o1)NCC(F)(F)F
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)10-19-12(22)7-9-14-21-20-13(23-14)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,22)
InChIKeyCZXKHVPJOLHROT-UHFFFAOYSA-N
XLogP2.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 42394452) is 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCc1nnc(CCc2ccccc2)o1)NCC(F)(F)F.
What is the InChIKey of 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CZXKHVPJOLHROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c16-15(17,18)10-19-12(22)7-9-14-21-20-13(23-14)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,22).
What are the key properties of 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 327.31 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 42394452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).