5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide

C19H12BrN3O3 — CID 16763198

IUPAC5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccc(Br)o1
InChIInChI=1S/C19H12BrN3O3/c20-16-11-10-15(25-16)18(24)21-14-9-5-4-8-13(14)19-22-17(23-26-19)12-6-2-1-3-7-12/h1-11H,(H,21,24)
InChIKeyCWVMIUGXCGEDBZ-UHFFFAOYSA-N
MW410.23 g/mol
LogP5.01
Rot. Bonds4

About 5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide

5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide (PubChem CID 16763198) has the molecular formula C19H12BrN3O3 and a molecular weight of 410.23 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
PubChem CID16763198
Molecular FormulaC19H12BrN3O3
Molecular Weight410.23 g/mol
Exact Mass409.01
IUPAC Name5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccc(Br)o1
InChIInChI=1S/C19H12BrN3O3/c20-16-11-10-15(25-16)18(24)21-14-9-5-4-8-13(14)19-22-17(23-26-19)12-6-2-1-3-7-12/h1-11H,(H,21,24)
InChIKeyCWVMIUGXCGEDBZ-UHFFFAOYSA-N
XLogP5.01
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.23
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329655
N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30331950
5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 39867589
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4897487
4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 30333479
N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 120893398
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 39867097
2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329649
5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30332060

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide (CID 16763198) is 5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide?
The InChIKey is CWVMIUGXCGEDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O3/c20-16-11-10-15(25-16)18(24)21-14-9-5-4-8-13(14)19-22-17(23-26-19)12-6-2-1-3-7-12/h1-11H,(H,21,24).
What are the key properties of 5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide has a molecular weight of 410.23 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 16763198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).