4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide

C27H27N5O5 — CID 68889533

About 4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide

4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide (PubChem CID 68889533) has the molecular formula C27H27N5O5 and a molecular weight of 501.54 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide
• PubChem CID: 68889533
• Molecular Formula: C27H27N5O5
• Molecular Weight: 501.54 g/mol
• Exact Mass: 501.20
• IUPAC Name: 4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide
• SMILES: CCCC(NC(=O)c1ccc(-c2cnco2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1
• InChI: InChI=1S/C27H27N5O5/c1-2-5-20(30-25(34)18-9-7-17(8-10-18)23-14-28-16-37-23)27(36)31-13-11-21-24(31)22(33)15-32(21)26(35)19-6-3-4-12-29-19/h3-4,6-10,12,14,16,20-21,24H,2,5,11,13,15H2,1H3,(H,30,34)
• InChIKey: WHAMWTXQLQXBTG-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 125.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.54
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide?

The IUPAC name of 4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide (CID 68889533) is 4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide.

What is the SMILES notation for 4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide?

The canonical SMILES for 4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide is CCCC(NC(=O)c1ccc(-c2cnco2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1.

What is the InChIKey of 4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide?

The InChIKey is WHAMWTXQLQXBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O5/c1-2-5-20(30-25(34)18-9-7-17(8-10-18)23-14-28-16-37-23)27(36)31-13-11-21-24(31)22(33)15-32(21)26(35)19-6-3-4-12-29-19/h3-4,6-10,12,14,16,20-21,24H,2,5,11,13,15H2,1H3,(H,30,34).

What are the key properties of 4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide?

4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide has a molecular weight of 501.54 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-oxazol-5-yl)-N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide is sourced from PubChem (CID 68889533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).