5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one

C9H4ClF3N2O2 — CID 146425072

IUPAC5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C9H4ClF3N2O2/c10-6-2-1-4(3-5(6)9(11,12)13)7-14-15-8(16)17-7/h1-3H,(H,15,16)
InChIKeySBBOPUCCCOEMDA-UHFFFAOYSA-N
MW264.59 g/mol
LogP2.70
Rot. Bonds1

About 5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one

5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 146425072) has the molecular formula C9H4ClF3N2O2 and a molecular weight of 264.59 g/mol. Its IUPAC name is 5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID146425072
Molecular FormulaC9H4ClF3N2O2
Molecular Weight264.59 g/mol
Exact Mass263.99
IUPAC Name5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C9H4ClF3N2O2/c10-6-2-1-4(3-5(6)9(11,12)13)7-14-15-8(16)17-7/h1-3H,(H,15,16)
InChIKeySBBOPUCCCOEMDA-UHFFFAOYSA-N
XLogP2.70
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (CID 146425072) is 5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(Cl)c(C(F)(F)F)c2)o1.
What is the InChIKey of 5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is SBBOPUCCCOEMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O2/c10-6-2-1-4(3-5(6)9(11,12)13)7-14-15-8(16)17-7/h1-3H,(H,15,16).
What are the key properties of 5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 264.59 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146425072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).