6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol

C24H27N5O3 — CID 168977833

About 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol

6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol (PubChem CID 168977833) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol.

Molecular Properties

• Compound Name: 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol
• PubChem CID: 168977833
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol
• SMILES: CC(C)(C)NC1CCN(c2ccc3nc(-c4cc5oc(CO)nc5cc4O)ccc3n2)C1
• InChI: InChI=1S/C24H27N5O3/c1-24(2,3)28-14-8-9-29(12-14)22-7-6-17-18(26-22)5-4-16(25-17)15-10-21-19(11-20(15)31)27-23(13-30)32-21/h4-7,10-11,14,28,30-31H,8-9,12-13H2,1-3H3
• InChIKey: OGJVDRFXDODWAS-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 107.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol?

The IUPAC name of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol (CID 168977833) is 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol.

What is the SMILES notation for 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol?

The canonical SMILES for 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol is CC(C)(C)NC1CCN(c2ccc3nc(-c4cc5oc(CO)nc5cc4O)ccc3n2)C1.

What is the InChIKey of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol?

The InChIKey is OGJVDRFXDODWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-24(2,3)28-14-8-9-29(12-14)22-7-6-17-18(26-22)5-4-16(25-17)15-10-21-19(11-20(15)31)27-23(13-30)32-21/h4-7,10-11,14,28,30-31H,8-9,12-13H2,1-3H3.

What are the key properties of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol?

6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol has a molecular weight of 433.51 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-(hydroxymethyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 168977833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).