5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide

C23H13Cl2N3O3 — CID 3810795

About 5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide

5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide (PubChem CID 3810795) has the molecular formula C23H13Cl2N3O3 and a molecular weight of 450.28 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
• PubChem CID: 3810795
• Molecular Formula: C23H13Cl2N3O3
• Molecular Weight: 450.28 g/mol
• Exact Mass: 449.03
• IUPAC Name: 5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
• SMILES: O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(-c2cccc(Cl)c2Cl)o1
• InChI: InChI=1S/C23H13Cl2N3O3/c24-16-5-1-4-15(21(16)25)18-8-9-20(30-18)22(29)27-14-6-7-19-17(11-14)28-23(31-19)13-3-2-10-26-12-13/h1-12H,(H,27,29)
• InChIKey: PRLHEKWOHKAERS-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.28
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?

The IUPAC name of 5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide (CID 3810795) is 5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide.

What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?

The canonical SMILES for 5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(-c2cccc(Cl)c2Cl)o1.

What is the InChIKey of 5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?

The InChIKey is PRLHEKWOHKAERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2N3O3/c24-16-5-1-4-15(21(16)25)18-8-9-20(30-18)22(29)27-14-6-7-19-17(11-14)28-23(31-19)13-3-2-10-26-12-13/h1-12H,(H,27,29).

What are the key properties of 5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?

5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide has a molecular weight of 450.28 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 3810795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).