N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide

C12H9ClF3N3O2 — CID 75393290

IUPACN-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC(c1ccc(Cl)cc1)c1ncon1
InChIInChI=1S/C12H9ClF3N3O2/c13-8-3-1-7(2-4-8)10(11-17-6-21-19-11)18-9(20)5-12(14,15)16/h1-4,6,10H,5H2,(H,18,20)
InChIKeySNAGIAAIZWYYTK-UHFFFAOYSA-N
MW319.67 g/mol
LogP2.88
Rot. Bonds4

About N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide

N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 75393290) has the molecular formula C12H9ClF3N3O2 and a molecular weight of 319.67 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide
PubChem CID75393290
Molecular FormulaC12H9ClF3N3O2
Molecular Weight319.67 g/mol
Exact Mass319.03
IUPAC NameN-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC(c1ccc(Cl)cc1)c1ncon1
InChIInChI=1S/C12H9ClF3N3O2/c13-8-3-1-7(2-4-8)10(11-17-6-21-19-11)18-9(20)5-12(14,15)16/h1-4,6,10H,5H2,(H,18,20)
InChIKeySNAGIAAIZWYYTK-UHFFFAOYSA-N
XLogP2.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide (CID 75393290) is N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NC(c1ccc(Cl)cc1)c1ncon1.
What is the InChIKey of N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is SNAGIAAIZWYYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O2/c13-8-3-1-7(2-4-8)10(11-17-6-21-19-11)18-9(20)5-12(14,15)16/h1-4,6,10H,5H2,(H,18,20).
What are the key properties of N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide?
N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide has a molecular weight of 319.67 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 75393290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).