5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide

C21H13BrCl2N2O3 — CID 23967983

IUPAC5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1
InChIInChI=1S/C21H13BrCl2N2O3/c1-28-18-6-2-11(22)8-15(18)20(27)25-13-4-7-19-17(10-13)26-21(29-19)14-9-12(23)3-5-16(14)24/h2-10H,1H3,(H,25,27)
InChIKeyILEDEWXCRCQJBV-UHFFFAOYSA-N
MW492.16 g/mol
LogP6.82
Rot. Bonds4

About 5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide

5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide (PubChem CID 23967983) has the molecular formula C21H13BrCl2N2O3 and a molecular weight of 492.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
PubChem CID23967983
Molecular FormulaC21H13BrCl2N2O3
Molecular Weight492.16 g/mol
Exact Mass489.95
IUPAC Name5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1
InChIInChI=1S/C21H13BrCl2N2O3/c1-28-18-6-2-11(22)8-15(18)20(27)25-13-4-7-19-17(10-13)26-21(29-19)14-9-12(23)3-5-16(14)24/h2-10H,1H3,(H,25,27)
InChIKeyILEDEWXCRCQJBV-UHFFFAOYSA-N
XLogP6.82
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.16
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide 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
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-chloro-2-methoxybenzamide
CID 1395588
3-bromo-N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 3117294
5-chloro-2-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 1367090
5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1341227
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602
5-bromo-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23989159
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
N-[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloro-4-methoxybenzamide
CID 43914765
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17092589
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 43914121
2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 43902672

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide (CID 23967983) is 5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1.
What is the InChIKey of 5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide?
The InChIKey is ILEDEWXCRCQJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrCl2N2O3/c1-28-18-6-2-11(22)8-15(18)20(27)25-13-4-7-19-17(10-13)26-21(29-19)14-9-12(23)3-5-16(14)24/h2-10H,1H3,(H,25,27).
What are the key properties of 5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide?
5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide has a molecular weight of 492.16 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 23967983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).