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

C28H22Cl2N2O4 — CID 17318735

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

5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 17318735) has the molecular formula C28H22Cl2N2O4 and a molecular weight of 521.40 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
• PubChem CID: 17318735
• Molecular Formula: C28H22Cl2N2O4
• Molecular Weight: 521.40 g/mol
• Exact Mass: 520.10
• IUPAC Name: 5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
• SMILES: COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1
• InChI: InChI=1S/C28H22Cl2N2O4/c1-15(2)16-4-9-25-22(12-16)32-28(36-25)17-5-8-24(34-3)21(13-17)31-27(33)26-11-10-23(35-26)19-14-18(29)6-7-20(19)30/h4-15H,1-3H3,(H,31,33)
• InChIKey: REULEQOQFYFNJW-UHFFFAOYSA-N
• XLogP: 8.45
• TPSA: 77.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.40
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?

The IUPAC name of 5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide (CID 17318735) is 5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?

The canonical SMILES for 5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide is COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1.

What is the InChIKey of 5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?

The InChIKey is REULEQOQFYFNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N2O4/c1-15(2)16-4-9-25-22(12-16)32-28(36-25)17-5-8-24(34-3)21(13-17)31-27(33)26-11-10-23(35-26)19-14-18(29)6-7-20(19)30/h4-15H,1-3H3,(H,31,33).

What are the key properties of 5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide?

5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 521.40 g/mol, XLogP of 8.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17318735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).