6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide

C31H31N3O7 — CID 145201624

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide

6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide (PubChem CID 145201624) has the molecular formula C31H31N3O7 and a molecular weight of 557.60 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
• PubChem CID: 145201624
• Molecular Formula: C31H31N3O7
• Molecular Weight: 557.60 g/mol
• Exact Mass: 557.22
• IUPAC Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
• SMILES: Cc1noc(C)c1-c1ccc2c(C(=O)N[C@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)cn(Cc3ccc4ccccc4c3)c2c1
• InChI: InChI=1S/C31H31N3O7/c1-16-26(17(2)41-33-16)21-9-10-22-23(30(38)32-27-29(37)28(36)25(15-35)40-31(27)39)14-34(24(22)12-21)13-18-7-8-19-5-3-4-6-20(19)11-18/h3-12,14,25,27-29,31,35-37,39H,13,15H2,1-2H3,(H,32,38)/t25-,27-,28-,29-,31?/m1/s1
• InChIKey: HRXBNESWVYADTJ-RQJORNNASA-N
• XLogP: 2.64
• TPSA: 150.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.60
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide?

The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide (CID 145201624) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide.

What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide?

The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide is Cc1noc(C)c1-c1ccc2c(C(=O)N[C@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)cn(Cc3ccc4ccccc4c3)c2c1.

What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide?

The InChIKey is HRXBNESWVYADTJ-RQJORNNASA-N. The full InChI is InChI=1S/C31H31N3O7/c1-16-26(17(2)41-33-16)21-9-10-22-23(30(38)32-27-29(37)28(36)25(15-35)40-31(27)39)14-34(24(22)12-21)13-18-7-8-19-5-3-4-6-20(19)11-18/h3-12,14,25,27-29,31,35-37,39H,13,15H2,1-2H3,(H,32,38)/t25-,27-,28-,29-,31?/m1/s1.

What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide?

6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide has a molecular weight of 557.60 g/mol, XLogP of 2.64, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide is sourced from PubChem (CID 145201624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).