N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide

C16H9ClF3N3O2 — CID 4531090

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H9ClF3N3O2/c17-12-6-4-9(5-7-12)14-22-23-15(25-14)21-13(24)10-2-1-3-11(8-10)16(18,19)20/h1-8H,(H,21,23,24)
InChIKeyZBHUCEVJOSCQTF-UHFFFAOYSA-N
MW367.71 g/mol
LogP4.66
Rot. Bonds3

About N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 4531090) has the molecular formula C16H9ClF3N3O2 and a molecular weight of 367.71 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID4531090
Molecular FormulaC16H9ClF3N3O2
Molecular Weight367.71 g/mol
Exact Mass367.03
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H9ClF3N3O2/c17-12-6-4-9(5-7-12)14-22-23-15(25-14)21-13(24)10-2-1-3-11(8-10)16(18,19)20/h1-8H,(H,21,23,24)
InChIKeyZBHUCEVJOSCQTF-UHFFFAOYSA-N
XLogP4.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.71
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide (CID 4531090) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZBHUCEVJOSCQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3O2/c17-12-6-4-9(5-7-12)14-22-23-15(25-14)21-13(24)10-2-1-3-11(8-10)16(18,19)20/h1-8H,(H,21,23,24).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 367.71 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4531090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).