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

C24H13Cl3N2O3 — CID 3125086

IUPACN-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C24H13Cl3N2O3/c25-14-3-1-2-13(10-14)24-29-19-12-16(5-7-21(19)32-24)28-23(30)22-9-8-20(31-22)17-11-15(26)4-6-18(17)27/h1-12H,(H,28,30)
InChIKeyLXMRFASCJHLRDY-UHFFFAOYSA-N
MW483.74 g/mol
LogP7.97
Rot. Bonds4

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

N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide (PubChem CID 3125086) has the molecular formula C24H13Cl3N2O3 and a molecular weight of 483.74 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
PubChem CID3125086
Molecular FormulaC24H13Cl3N2O3
Molecular Weight483.74 g/mol
Exact Mass482.00
IUPAC NameN-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C24H13Cl3N2O3/c25-14-3-1-2-13(10-14)24-29-19-12-16(5-7-21(19)32-24)28-23(30)22-9-8-20(31-22)17-11-15(26)4-6-18(17)27/h1-12H,(H,28,30)
InChIKeyLXMRFASCJHLRDY-UHFFFAOYSA-N
XLogP7.97
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.74
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 43914043
5-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128532
5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124272
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124271
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 1348589
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242
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-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 3810795
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552
5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17117093
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17110645

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide (CID 3125086) is N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide is O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The InChIKey is LXMRFASCJHLRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl3N2O3/c25-14-3-1-2-13(10-14)24-29-19-12-16(5-7-21(19)32-24)28-23(30)22-9-8-20(31-22)17-11-15(26)4-6-18(17)27/h1-12H,(H,28,30).
What are the key properties of N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide has a molecular weight of 483.74 g/mol, XLogP of 7.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 3125086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).