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

C24H15ClN2O3 — CID 1348589

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C24H15ClN2O3/c25-17-7-3-5-15(13-17)20-11-12-22(29-20)23(28)26-18-8-4-6-16(14-18)24-27-19-9-1-2-10-21(19)30-24/h1-14H,(H,26,28)
InChIKeyWTISIUMWFHCGEA-UHFFFAOYSA-N
MW414.85 g/mol
LogP6.66
Rot. Bonds4

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

N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide (PubChem CID 1348589) has the molecular formula C24H15ClN2O3 and a molecular weight of 414.85 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
PubChem CID1348589
Molecular FormulaC24H15ClN2O3
Molecular Weight414.85 g/mol
Exact Mass414.08
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C24H15ClN2O3/c25-17-7-3-5-15(13-17)20-11-12-22(29-20)23(28)26-18-8-4-6-16(14-18)24-27-19-9-1-2-10-21(19)30-24/h1-14H,(H,26,28)
InChIKeyWTISIUMWFHCGEA-UHFFFAOYSA-N
XLogP6.66
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.85
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3501966
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3125086
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 23937936
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
CID 3968196
N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 43914043
5-(2,4-dichlorophenyl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17110645
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 2183818
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3381249
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17296967
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5019209
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-phenylfuran-2-carboxamide
CID 17092650
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide (CID 1348589) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
The InChIKey is WTISIUMWFHCGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2O3/c25-17-7-3-5-15(13-17)20-11-12-22(29-20)23(28)26-18-8-4-6-16(14-18)24-27-19-9-1-2-10-21(19)30-24/h1-14H,(H,26,28).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide has a molecular weight of 414.85 g/mol, XLogP of 6.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 1348589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).