5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide

C24H15ClN4O5 — CID 17018462

About 5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide

5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide (PubChem CID 17018462) has the molecular formula C24H15ClN4O5 and a molecular weight of 474.86 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
• PubChem CID: 17018462
• Molecular Formula: C24H15ClN4O5
• Molecular Weight: 474.86 g/mol
• Exact Mass: 474.07
• IUPAC Name: 5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
• SMILES: Cc1c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cccc1-c1nc2ncccc2o1
• InChI: InChI=1S/C24H15ClN4O5/c1-13-15(24-28-22-20(34-24)6-3-11-26-22)4-2-5-18(13)27-23(30)21-10-9-19(33-21)16-8-7-14(29(31)32)12-17(16)25/h2-12H,1H3,(H,27,30)
• InChIKey: RPZKACSDSHMPOE-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 124.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.86
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?

The IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide (CID 17018462) is 5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?

The canonical SMILES for 5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide is Cc1c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cccc1-c1nc2ncccc2o1.

What is the InChIKey of 5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?

The InChIKey is RPZKACSDSHMPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN4O5/c1-13-15(24-28-22-20(34-24)6-3-11-26-22)4-2-5-18(13)27-23(30)21-10-9-19(33-21)16-8-7-14(29(31)32)12-17(16)25/h2-12H,1H3,(H,27,30).

What are the key properties of 5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?

5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 474.86 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-4-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17018462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).