[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C₁₇H₁₉ClN₂O₃ — CID 700024

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 700024) has the molecular formula C₁₇H₁₉ClN₂O₃ and a molecular weight of 334.80 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

• Compound Name: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
• PubChem CID: 700024
• Molecular Formula: C₁₇H₁₉ClN₂O₃
• Molecular Weight: 334.80 g/mol
• Exact Mass: 334.11
• IUPAC Name: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
• SMILES: Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@H](C)O[C@@H](C)C1
• InChI: InChI=1S/C17H19ClN2O3/c1-10-8-20(9-11(2)22-10)17(21)15-12(3)23-19-16(15)13-6-4-5-7-14(13)18/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m0/s1
• InChIKey: TVTRXQKNMOSKHX-QWRGUYRKSA-N
• XLogP: 3.55
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.80
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?

The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 700024) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?

The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@H](C)O[C@@H](C)C1.

What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?

The InChIKey is TVTRXQKNMOSKHX-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-10-8-20(9-11(2)22-10)17(21)15-12(3)23-19-16(15)13-6-4-5-7-14(13)18/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m0/s1.

What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 334.80 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 700024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 700024 — identifiers, structure, computed properties (public domain)

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