5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

C24H13BrCl2N2O3 — CID 23820161

IUPAC5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C24H13BrCl2N2O3/c25-14-6-4-13(5-7-14)19-10-11-21(31-19)23(30)28-15-8-9-20-18(12-15)29-24(32-20)16-2-1-3-17(26)22(16)27/h1-12H,(H,28,30)
InChIKeyLBQDRLJOHFYZEX-UHFFFAOYSA-N
MW528.19 g/mol
LogP8.08
Rot. Bonds4

About 5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (PubChem CID 23820161) has the molecular formula C24H13BrCl2N2O3 and a molecular weight of 528.19 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
PubChem CID23820161
Molecular FormulaC24H13BrCl2N2O3
Molecular Weight528.19 g/mol
Exact Mass525.95
IUPAC Name5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C24H13BrCl2N2O3/c25-14-6-4-13(5-7-14)19-10-11-21(31-19)23(30)28-15-8-9-20-18(12-15)29-24(32-20)16-2-1-3-17(26)22(16)27/h1-12H,(H,28,30)
InChIKeyLBQDRLJOHFYZEX-UHFFFAOYSA-N
XLogP8.08
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.19
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 1361589
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]-5-(4-chlorophenyl)furan-2-carboxamide
CID 43914121
5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23966661
5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17117093
N-[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 3534069
5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 3810795
5-(4-bromophenyl)-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17127606
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
CID 43914414
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 2718775
5-(4-bromophenyl)-N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23733323
5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124272

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (CID 23820161) is 5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
The InChIKey is LBQDRLJOHFYZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BrCl2N2O3/c25-14-6-4-13(5-7-14)19-10-11-21(31-19)23(30)28-15-8-9-20-18(12-15)29-24(32-20)16-2-1-3-17(26)22(16)27/h1-12H,(H,28,30).
What are the key properties of 5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide has a molecular weight of 528.19 g/mol, XLogP of 8.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 23820161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).