N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide

C13H7BrFN3O2S — CID 42110849

IUPACN-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)s2)o1)c1cccc(F)c1
InChIInChI=1S/C13H7BrFN3O2S/c14-10-5-4-9(21-10)12-17-18-13(20-12)16-11(19)7-2-1-3-8(15)6-7/h1-6H,(H,16,18,19)
InChIKeyBJKPCTQDBNUXDB-UHFFFAOYSA-N
MW368.19 g/mol
LogP3.95
Rot. Bonds3

About N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide

N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide (PubChem CID 42110849) has the molecular formula C13H7BrFN3O2S and a molecular weight of 368.19 g/mol. Its IUPAC name is N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
PubChem CID42110849
Molecular FormulaC13H7BrFN3O2S
Molecular Weight368.19 g/mol
Exact Mass366.94
IUPAC NameN-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)s2)o1)c1cccc(F)c1
InChIInChI=1S/C13H7BrFN3O2S/c14-10-5-4-9(21-10)12-17-18-13(20-12)16-11(19)7-2-1-3-8(15)6-7/h1-6H,(H,16,18,19)
InChIKeyBJKPCTQDBNUXDB-UHFFFAOYSA-N
XLogP3.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 42110867
3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971814
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 42110858
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 7533241
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839580
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578150
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 4085017
N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 129134908
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
CID 43971837
3,5-dichloro-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972024
4-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4986401

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide (CID 42110849) is N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide is O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1cccc(F)c1.
What is the InChIKey of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
The InChIKey is BJKPCTQDBNUXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O2S/c14-10-5-4-9(21-10)12-17-18-13(20-12)16-11(19)7-2-1-3-8(15)6-7/h1-6H,(H,16,18,19).
What are the key properties of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide has a molecular weight of 368.19 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 42110849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).