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

C14H7BrF3N3O3 — CID 43972580

IUPACN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)o2)o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H7BrF3N3O3/c15-10-5-4-9(23-10)12-20-21-13(24-12)19-11(22)7-2-1-3-8(6-7)14(16,17)18/h1-6H,(H,19,21,22)
InChIKeyUXPIRWHWBONMGI-UHFFFAOYSA-N
MW402.13 g/mol
LogP4.36
Rot. Bonds3

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

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 43972580) has the molecular formula C14H7BrF3N3O3 and a molecular weight of 402.13 g/mol. Its IUPAC name is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID43972580
Molecular FormulaC14H7BrF3N3O3
Molecular Weight402.13 g/mol
Exact Mass400.96
IUPAC NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)o2)o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H7BrF3N3O3/c15-10-5-4-9(23-10)12-20-21-13(24-12)19-11(22)7-2-1-3-8(6-7)14(16,17)18/h1-6H,(H,19,21,22)
InChIKeyUXPIRWHWBONMGI-UHFFFAOYSA-N
XLogP4.36
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.13
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 170341324
4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972644
N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3292510
methyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43972665
3-(trifluoromethyl)-N-[5-[3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 177345180
N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 177345247
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide
CID 43972825
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 43972703
5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide
CID 43972822
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide
CID 155239262
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 43972670
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide (CID 43972580) is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nnc(-c2ccc(Br)o2)o1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is UXPIRWHWBONMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF3N3O3/c15-10-5-4-9(23-10)12-20-21-13(24-12)19-11(22)7-2-1-3-8(6-7)14(16,17)18/h1-6H,(H,19,21,22).
What are the key properties of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 402.13 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 43972580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).