N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

C26H16Cl2N2O5 — CID 35339570

IUPACN-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl
InChIInChI=1S/C26H16Cl2N2O5/c1-33-21-11-8-15(12-18(21)28)24(31)25-23(17-4-2-3-5-20(17)34-25)29-26(32)19-13-22(35-30-19)14-6-9-16(27)10-7-14/h2-13H,1H3,(H,29,32)
InChIKeyFIWSJIQMSKKOSG-UHFFFAOYSA-N
MW507.33 g/mol
LogP6.89
Rot. Bonds6

About N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 35339570) has the molecular formula C26H16Cl2N2O5 and a molecular weight of 507.33 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID35339570
Molecular FormulaC26H16Cl2N2O5
Molecular Weight507.33 g/mol
Exact Mass506.04
IUPAC NameN-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl
InChIInChI=1S/C26H16Cl2N2O5/c1-33-21-11-8-15(12-18(21)28)24(31)25-23(17-4-2-3-5-20(17)34-25)29-26(32)19-13-22(35-30-19)14-6-9-16(27)10-7-14/h2-13H,1H3,(H,29,32)
InChIKeyFIWSJIQMSKKOSG-UHFFFAOYSA-N
XLogP6.89
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.33
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 35339570) is N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FIWSJIQMSKKOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2N2O5/c1-33-21-11-8-15(12-18(21)28)24(31)25-23(17-4-2-3-5-20(17)34-25)29-26(32)19-13-22(35-30-19)14-6-9-16(27)10-7-14/h2-13H,1H3,(H,29,32).
What are the key properties of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 507.33 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 35339570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).