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

C18H9BrCl2N2O3 — CID 1361589

IUPAC5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(Br)o1
InChIInChI=1S/C18H9BrCl2N2O3/c19-15-7-6-14(25-15)17(24)22-9-4-5-13-12(8-9)23-18(26-13)10-2-1-3-11(20)16(10)21/h1-8H,(H,22,24)
InChIKeyDKHDJVZLGBDMON-UHFFFAOYSA-N
MW452.09 g/mol
LogP6.41
Rot. Bonds3

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

5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (PubChem CID 1361589) has the molecular formula C18H9BrCl2N2O3 and a molecular weight of 452.09 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
PubChem CID1361589
Molecular FormulaC18H9BrCl2N2O3
Molecular Weight452.09 g/mol
Exact Mass449.92
IUPAC Name5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(Br)o1
InChIInChI=1S/C18H9BrCl2N2O3/c19-15-7-6-14(25-15)17(24)22-9-4-5-13-12(8-9)23-18(26-13)10-2-1-3-11(20)16(10)21/h1-8H,(H,22,24)
InChIKeyDKHDJVZLGBDMON-UHFFFAOYSA-N
XLogP6.41
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.09
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23820161
5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 1142575
5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23966661
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
CID 1361662
5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17117093
5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 3810795
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide
CID 25211219
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124271
N-[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 3534069
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-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 3557316

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (CID 1361589) is 5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
The InChIKey is DKHDJVZLGBDMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrCl2N2O3/c19-15-7-6-14(25-15)17(24)22-9-4-5-13-12(8-9)23-18(26-13)10-2-1-3-11(20)16(10)21/h1-8H,(H,22,24).
What are the key properties of 5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide has a molecular weight of 452.09 g/mol, XLogP of 6.41, 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-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 1361589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).