1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone

C25H23ClN4O3 — CID 129455914

About 1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone

1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone (PubChem CID 129455914) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone
• PubChem CID: 129455914
• Molecular Formula: C25H23ClN4O3
• Molecular Weight: 462.94 g/mol
• Exact Mass: 462.15
• IUPAC Name: 1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone
• SMILES: O=C(COc1ncnc2ccccc12)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1
• InChI: InChI=1S/C25H23ClN4O3/c26-19-7-3-5-17(11-19)12-20-13-27-24(33-20)18-6-4-10-30(14-18)23(31)15-32-25-21-8-1-2-9-22(21)28-16-29-25/h1-3,5,7-9,11,13,16,18H,4,6,10,12,14-15H2/t18-/m1/s1
• InChIKey: JXJHHHPWDWAFSF-GOSISDBHSA-N
• XLogP: 4.65
• TPSA: 81.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.94
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone?

The IUPAC name of 1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone (CID 129455914) is 1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone.

What is the SMILES notation for 1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone?

The canonical SMILES for 1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone is O=C(COc1ncnc2ccccc12)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1.

What is the InChIKey of 1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone?

The InChIKey is JXJHHHPWDWAFSF-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c26-19-7-3-5-17(11-19)12-20-13-27-24(33-20)18-6-4-10-30(14-18)23(31)15-32-25-21-8-1-2-9-22(21)28-16-29-25/h1-3,5,7-9,11,13,16,18H,4,6,10,12,14-15H2/t18-/m1/s1.

What are the key properties of 1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone?

1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone has a molecular weight of 462.94 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 129455914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).