5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

C20H12BrClN2O2 — CID 1108422

IUPAC5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H12BrClN2O2/c21-13-6-8-16(22)15(10-13)19(25)23-14-7-9-18-17(11-14)24-20(26-18)12-4-2-1-3-5-12/h1-11H,(H,23,25)
InChIKeyOMRXYTPPBXSTJZ-UHFFFAOYSA-N
MW427.69 g/mol
LogP6.16
Rot. Bonds3

About 5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 1108422) has the molecular formula C20H12BrClN2O2 and a molecular weight of 427.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID1108422
Molecular FormulaC20H12BrClN2O2
Molecular Weight427.69 g/mol
Exact Mass425.98
IUPAC Name5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H12BrClN2O2/c21-13-6-8-16(22)15(10-13)19(25)23-14-7-9-18-17(11-14)24-20(26-18)12-4-2-1-3-5-12/h1-11H,(H,23,25)
InChIKeyOMRXYTPPBXSTJZ-UHFFFAOYSA-N
XLogP6.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.69
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-chloro-N-(2-phenyl-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

5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23821250
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-chloro-5-nitrobenzamide
CID 1361481
2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 718625
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242
2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 4663208
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 4258037
2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 3112274
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552
5-bromo-2-chloro-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 17127669
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide
CID 2275789

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide (CID 1108422) is 5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is OMRXYTPPBXSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClN2O2/c21-13-6-8-16(22)15(10-13)19(25)23-14-7-9-18-17(11-14)24-20(26-18)12-4-2-1-3-5-12/h1-11H,(H,23,25).
What are the key properties of 5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide?
5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 427.69 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 1108422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).