[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone

C19H18ClN3O3 — CID 125010271

About [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone

[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 125010271) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
• PubChem CID: 125010271
• Molecular Formula: C19H18ClN3O3
• Molecular Weight: 371.82 g/mol
• Exact Mass: 371.10
• IUPAC Name: [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
• SMILES: O=C(c1cnco1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1
• InChI: InChI=1S/C19H18ClN3O3/c20-15-5-1-3-13(7-15)8-16-9-22-18(26-16)14-4-2-6-23(11-14)19(24)17-10-21-12-25-17/h1,3,5,7,9-10,12,14H,2,4,6,8,11H2/t14-/m0/s1
• InChIKey: VIILEYHHYJQABO-AWEZNQCLSA-N
• XLogP: 3.93
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.82
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?

The IUPAC name of [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 125010271) is [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone.

What is the SMILES notation for [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?

The canonical SMILES for [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone is O=C(c1cnco1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1.

What is the InChIKey of [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?

The InChIKey is VIILEYHHYJQABO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-15-5-1-3-13(7-15)8-16-9-22-18(26-16)14-4-2-6-23(11-14)19(24)17-10-21-12-25-17/h1,3,5,7,9-10,12,14H,2,4,6,8,11H2/t14-/m0/s1.

What are the key properties of [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?

[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 371.82 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 125010271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).