(2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one

C22H26N2O3 — CID 97251422

About (2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one

(2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 97251422) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

• Compound Name: (2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one
• PubChem CID: 97251422
• Molecular Formula: C22H26N2O3
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.19
• IUPAC Name: (2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one
• SMILES: Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H]3[C@@H]3CCCC3=O)o2)cc1
• InChI: InChI=1S/C22H26N2O3/c1-15-7-9-16(10-8-15)20-14-23-21(27-20)11-12-22(26)24-13-3-5-18(24)17-4-2-6-19(17)25/h7-10,14,17-18H,2-6,11-13H2,1H3/t17-,18+/m0/s1
• InChIKey: DMZBCTUTPKPWAY-ZWKOTPCHSA-N
• XLogP: 3.94
• TPSA: 63.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.46
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one?

The IUPAC name of (2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one (CID 97251422) is (2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one.

What is the SMILES notation for (2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one?

The canonical SMILES for (2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one is Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H]3[C@@H]3CCCC3=O)o2)cc1.

What is the InChIKey of (2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one?

The InChIKey is DMZBCTUTPKPWAY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-7-9-16(10-8-15)20-14-23-21(27-20)11-12-22(26)24-13-3-5-18(24)17-4-2-6-19(17)25/h7-10,14,17-18H,2-6,11-13H2,1H3/t17-,18+/m0/s1.

What are the key properties of (2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one?

(2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 366.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2R)-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 97251422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).