5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

C16H9ClF3N3O2 — CID 110391322

IUPAC5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C16H9ClF3N3O2/c17-12-7-2-1-6-11(12)14-22-23-15(25-14)13(24)21-10-5-3-4-9(8-10)16(18,19)20/h1-8H,(H,21,24)
InChIKeyUERFLAGZLGFNIP-UHFFFAOYSA-N
MW367.71 g/mol
LogP4.66
Rot. Bonds3

About 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391322) has the molecular formula C16H9ClF3N3O2 and a molecular weight of 367.71 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391322
Molecular FormulaC16H9ClF3N3O2
Molecular Weight367.71 g/mol
Exact Mass367.03
IUPAC Name5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C16H9ClF3N3O2/c17-12-7-2-1-6-11(12)14-22-23-15(25-14)13(24)21-10-5-3-4-9(8-10)16(18,19)20/h1-8H,(H,21,24)
InChIKeyUERFLAGZLGFNIP-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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Related Compounds

5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391456
5-(2-fluorophenyl)-N-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392375
5-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391457
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625234
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
2-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 155776669
2,6-dichloro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 139070486
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4576042
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1115849
N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392521

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide (CID 110391322) is 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is UERFLAGZLGFNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3O2/c17-12-7-2-1-6-11(12)14-22-23-15(25-14)13(24)21-10-5-3-4-9(8-10)16(18,19)20/h1-8H,(H,21,24).
What are the key properties of 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide 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 5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).