3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one

C18H22ClN3O2 — CID 124947366

About 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 124947366) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
• PubChem CID: 124947366
• Molecular Formula: C18H22ClN3O2
• Molecular Weight: 347.85 g/mol
• Exact Mass: 347.14
• IUPAC Name: 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
• SMILES: Cc1cccc(C[C@@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)n1
• InChI: InChI=1S/C18H22ClN3O2/c1-13-4-2-6-15(20-13)10-14-5-3-9-22(12-14)18(23)8-7-16-11-17(19)21-24-16/h2,4,6,11,14H,3,5,7-10,12H2,1H3/t14-/m0/s1
• InChIKey: CFGOHDNBDXKXRD-AWEZNQCLSA-N
• XLogP: 3.45
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.85
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one (CID 124947366) is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one is Cc1cccc(C[C@@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)n1.

What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one?

The InChIKey is CFGOHDNBDXKXRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-13-4-2-6-15(20-13)10-14-5-3-9-22(12-14)18(23)8-7-16-11-17(19)21-24-16/h2,4,6,11,14H,3,5,7-10,12H2,1H3/t14-/m0/s1.

What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one?

3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 347.85 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124947366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).