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

C19H11BrClN3O3 — CID 39867589

IUPAC5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)c1ccc(Br)o1
InChIInChI=1S/C19H11BrClN3O3/c20-16-10-9-15(26-16)18(25)22-14-7-3-12(4-8-14)19-23-17(24-27-19)11-1-5-13(21)6-2-11/h1-10H,(H,22,25)
InChIKeyTYYXURJTQBYBNL-UHFFFAOYSA-N
MW444.67 g/mol
LogP5.66
Rot. Bonds4

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

5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (PubChem CID 39867589) has the molecular formula C19H11BrClN3O3 and a molecular weight of 444.67 g/mol. Its IUPAC name is 5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
PubChem CID39867589
Molecular FormulaC19H11BrClN3O3
Molecular Weight444.67 g/mol
Exact Mass442.97
IUPAC Name5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)c1ccc(Br)o1
InChIInChI=1S/C19H11BrClN3O3/c20-16-10-9-15(26-16)18(25)22-14-7-3-12(4-8-14)19-23-17(24-27-19)11-1-5-13(21)6-2-11/h1-10H,(H,22,25)
InChIKeyTYYXURJTQBYBNL-UHFFFAOYSA-N
XLogP5.66
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.67
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
CID 17052798
5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 16763198
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[4-[5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
CID 5076685
5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 29127725
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
CID 50769142
5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 60729952
5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6027501

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (CID 39867589) is 5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The InChIKey is TYYXURJTQBYBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrClN3O3/c20-16-10-9-15(26-16)18(25)22-14-7-3-12(4-8-14)19-23-17(24-27-19)11-1-5-13(21)6-2-11/h1-10H,(H,22,25).
What are the key properties of 5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 444.67 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 39867589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).