5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

C19H11BrClN3O2 — CID 3238969

IUPAC5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cncc(Br)c1
InChIInChI=1S/C19H11BrClN3O2/c20-12-7-11(9-22-10-12)18(25)23-13-5-6-17-16(8-13)24-19(26-17)14-3-1-2-4-15(14)21/h1-10H,(H,23,25)
InChIKeyKPIQFMUOSWEVOO-UHFFFAOYSA-N
MW428.67 g/mol
LogP5.56
Rot. Bonds3

About 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (PubChem CID 3238969) has the molecular formula C19H11BrClN3O2 and a molecular weight of 428.67 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
PubChem CID3238969
Molecular FormulaC19H11BrClN3O2
Molecular Weight428.67 g/mol
Exact Mass426.97
IUPAC Name5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cncc(Br)c1
InChIInChI=1S/C19H11BrClN3O2/c20-12-7-11(9-22-10-12)18(25)23-13-5-6-17-16(8-13)24-19(26-17)14-3-1-2-4-15(14)21/h1-10H,(H,23,25)
InChIKeyKPIQFMUOSWEVOO-UHFFFAOYSA-N
XLogP5.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.67
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1322845
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide
CID 2984861
5-bromo-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pyridine-3-carboxamide
CID 1017567
3-bromo-N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 2280043
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
CID 3998301
3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide
CID 155511738
5-bromo-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 17163361
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide
CID 23731964
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CID 709591
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (CID 3238969) is 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The InChIKey is KPIQFMUOSWEVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrClN3O2/c20-12-7-11(9-22-10-12)18(25)23-13-5-6-17-16(8-13)24-19(26-17)14-3-1-2-4-15(14)21/h1-10H,(H,23,25).
What are the key properties of 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide has a molecular weight of 428.67 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3238969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).