N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C23H24N6O3 — CID 154818915

About N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 154818915) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• PubChem CID: 154818915
• Molecular Formula: C23H24N6O3
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.19
• IUPAC Name: N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• SMILES: CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CC1CCCN(c2nc3ncccc3o2)C1
• InChI: InChI=1S/C23H24N6O3/c1-28(14-19-25-17-8-3-2-7-16(17)22(31)26-19)20(30)12-15-6-5-11-29(13-15)23-27-21-18(32-23)9-4-10-24-21/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,25,26,31)
• InChIKey: ZYYUDUURFFITPV-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 108.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The IUPAC name of N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 154818915) is N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

What is the SMILES notation for N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The canonical SMILES for N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CC1CCCN(c2nc3ncccc3o2)C1.

What is the InChIKey of N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The InChIKey is ZYYUDUURFFITPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-28(14-19-25-17-8-3-2-7-16(17)22(31)26-19)20(30)12-15-6-5-11-29(13-15)23-27-21-18(32-23)9-4-10-24-21/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,25,26,31).

What are the key properties of N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 154818915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).