N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide

C25H16ClN3O4 — CID 17011052

IUPACN-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12)c1cc(-c2ccccc2)on1
InChIInChI=1S/C25H16ClN3O4/c26-16-9-6-10-17(13-16)27-25(31)23-22(18-11-4-5-12-20(18)32-23)28-24(30)19-14-21(33-29-19)15-7-2-1-3-8-15/h1-14H,(H,27,31)(H,28,30)
InChIKeyNVADCLYEJYYPLE-UHFFFAOYSA-N
MW457.87 g/mol
LogP6.25
Rot. Bonds5

About N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 17011052) has the molecular formula C25H16ClN3O4 and a molecular weight of 457.87 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID17011052
Molecular FormulaC25H16ClN3O4
Molecular Weight457.87 g/mol
Exact Mass457.08
IUPAC NameN-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12)c1cc(-c2ccccc2)on1
InChIInChI=1S/C25H16ClN3O4/c26-16-9-6-10-17(13-16)27-25(31)23-22(18-11-4-5-12-20(18)32-23)28-24(30)19-14-21(33-29-19)15-7-2-1-3-8-15/h1-14H,(H,27,31)(H,28,30)
InChIKeyNVADCLYEJYYPLE-UHFFFAOYSA-N
XLogP6.25
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.87
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 17011052) is N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is NVADCLYEJYYPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3O4/c26-16-9-6-10-17(13-16)27-25(31)23-22(18-11-4-5-12-20(18)32-23)28-24(30)19-14-21(33-29-19)15-7-2-1-3-8-15/h1-14H,(H,27,31)(H,28,30).
What are the key properties of N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 457.87 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17011052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).