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

C19H16F3N3O2 — CID 171349888

IUPAC3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESO=C(CCc1ccccc1)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)15-9-7-14(8-10-15)18-24-17(27-25-18)12-23-16(26)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,23,26)
InChIKeyZKBLISMXIIEYJW-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.00
Rot. Bonds6

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

3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide (PubChem CID 171349888) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide
PubChem CID171349888
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESO=C(CCc1ccccc1)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)15-9-7-14(8-10-15)18-24-17(27-25-18)12-23-16(26)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,23,26)
InChIKeyZKBLISMXIIEYJW-UHFFFAOYSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The IUPAC name of 3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide (CID 171349888) is 3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The canonical SMILES for 3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide is O=C(CCc1ccccc1)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The InChIKey is ZKBLISMXIIEYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)15-9-7-14(8-10-15)18-24-17(27-25-18)12-23-16(26)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,23,26).
What are the key properties of 3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide?
3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide has a molecular weight of 375.35 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 171349888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).