N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide

C19H12BrN3O2 — CID 2984861

IUPACN-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1
InChIInChI=1S/C19H12BrN3O2/c20-14-8-13(10-21-11-14)19-23-16-9-15(6-7-17(16)25-19)22-18(24)12-4-2-1-3-5-12/h1-11H,(H,22,24)
InChIKeyMWLULBLOTTVXBN-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.90
Rot. Bonds3

About N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide

N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 2984861) has the molecular formula C19H12BrN3O2 and a molecular weight of 394.23 g/mol. Its IUPAC name is N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID2984861
Molecular FormulaC19H12BrN3O2
Molecular Weight394.23 g/mol
Exact Mass393.01
IUPAC NameN-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1
InChIInChI=1S/C19H12BrN3O2/c20-14-8-13(10-21-11-14)19-23-16-9-15(6-7-17(16)25-19)22-18(24)12-4-2-1-3-5-12/h1-11H,(H,22,24)
InChIKeyMWLULBLOTTVXBN-UHFFFAOYSA-N
XLogP4.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 1397326
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
CID 1256505
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide
CID 3875372
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3736722
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide
CID 3804335
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 1397296
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide
CID 1422331
5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 3238969
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
2-(5-bromo-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358149
N-[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 1396240

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide (CID 2984861) is N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide is O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1.
What is the InChIKey of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is MWLULBLOTTVXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O2/c20-14-8-13(10-21-11-14)19-23-16-9-15(6-7-17(16)25-19)22-18(24)12-4-2-1-3-5-12/h1-11H,(H,22,24).
What are the key properties of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide?
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 394.23 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 2984861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).