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

C24H13BrCl2N2O3 — CID 43914121

IUPACN-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H13BrCl2N2O3/c25-14-3-7-18(27)17(11-14)24-29-19-12-16(6-8-21(19)32-24)28-23(30)22-10-9-20(31-22)13-1-4-15(26)5-2-13/h1-12H,(H,28,30)
InChIKeyFWSGIUUJHXPSIK-UHFFFAOYSA-N
MW528.19 g/mol
LogP8.08
Rot. Bonds4

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

N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide (PubChem CID 43914121) has the molecular formula C24H13BrCl2N2O3 and a molecular weight of 528.19 g/mol. Its IUPAC name is N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide
PubChem CID43914121
Molecular FormulaC24H13BrCl2N2O3
Molecular Weight528.19 g/mol
Exact Mass525.95
IUPAC NameN-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H13BrCl2N2O3/c25-14-3-7-18(27)17(11-14)24-29-19-12-16(6-8-21(19)32-24)28-23(30)22-10-9-20(31-22)13-1-4-15(26)5-2-13/h1-12H,(H,28,30)
InChIKeyFWSGIUUJHXPSIK-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

N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
CID 43914414
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124271
5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124272
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 2718775
5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23820161
5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23821250
5-(4-bromophenyl)-N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide
CID 21215397
N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 43914043
5-(4-bromophenyl)-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17127606
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3125086
5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23967983
5-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128523

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide (CID 43914121) is N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide is O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide?
The InChIKey is FWSGIUUJHXPSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BrCl2N2O3/c25-14-3-7-18(27)17(11-14)24-29-19-12-16(6-8-21(19)32-24)28-23(30)22-10-9-20(31-22)13-1-4-15(26)5-2-13/h1-12H,(H,28,30).
What are the key properties of N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide?
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)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 N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 43914121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).