2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide

C20H19N3O5 — CID 167960316

About 2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide

2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide (PubChem CID 167960316) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide
• PubChem CID: 167960316
• Molecular Formula: C20H19N3O5
• Molecular Weight: 381.39 g/mol
• Exact Mass: 381.13
• IUPAC Name: 2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide
• SMILES: O=C(Cc1ccco1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2[nH]c(=O)oc2c1
• InChI: InChI=1S/C20H19N3O5/c24-18(10-13-2-1-7-27-13)21-15-9-12-4-6-16(15)23(12)19(25)11-3-5-14-17(8-11)28-20(26)22-14/h1-3,5,7-8,12,15-16H,4,6,9-10H2,(H,21,24)(H,22,26)/t12-,15-,16+/m1/s1
• InChIKey: VGBTYHZWKUXMRL-WQVCFCJDSA-N
• XLogP: 1.82
• TPSA: 108.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.39
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide?

The IUPAC name of 2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide (CID 167960316) is 2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide.

What is the SMILES notation for 2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide?

The canonical SMILES for 2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide is O=C(Cc1ccco1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2[nH]c(=O)oc2c1.

What is the InChIKey of 2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide?

The InChIKey is VGBTYHZWKUXMRL-WQVCFCJDSA-N. The full InChI is InChI=1S/C20H19N3O5/c24-18(10-13-2-1-7-27-13)21-15-9-12-4-6-16(15)23(12)19(25)11-3-5-14-17(8-11)28-20(26)22-14/h1-3,5,7-8,12,15-16H,4,6,9-10H2,(H,21,24)(H,22,26)/t12-,15-,16+/m1/s1.

What are the key properties of 2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide?

2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide has a molecular weight of 381.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-N-[(1S,2R,4R)-7-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]acetamide is sourced from PubChem (CID 167960316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).