(6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

C27H33N5O3 — CID 157026524

About (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

(6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (PubChem CID 157026524) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.

Molecular Properties

• Compound Name: (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
• PubChem CID: 157026524
• Molecular Formula: C27H33N5O3
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.26
• IUPAC Name: (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
• SMILES: CC(C)c1ccc([C@](O)(c2cncc(-c3noc([C@@H]4CCCC(=O)N4)n3)c2)C2(C)CN(C)C2)cc1
• InChI: InChI=1S/C27H33N5O3/c1-17(2)18-8-10-20(11-9-18)27(34,26(3)15-32(4)16-26)21-12-19(13-28-14-21)24-30-25(35-31-24)22-6-5-7-23(33)29-22/h8-14,17,22,34H,5-7,15-16H2,1-4H3,(H,29,33)/t22-,27-/m0/s1
• InChIKey: GWLWGJHGYLTHAI-CUNXSJBXSA-N
• XLogP: 3.78
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?

The IUPAC name of (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (CID 157026524) is (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.

What is the SMILES notation for (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?

The canonical SMILES for (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is CC(C)c1ccc([C@](O)(c2cncc(-c3noc([C@@H]4CCCC(=O)N4)n3)c2)C2(C)CN(C)C2)cc1.

What is the InChIKey of (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?

The InChIKey is GWLWGJHGYLTHAI-CUNXSJBXSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-17(2)18-8-10-20(11-9-18)27(34,26(3)15-32(4)16-26)21-12-19(13-28-14-21)24-30-25(35-31-24)22-6-5-7-23(33)29-22/h8-14,17,22,34H,5-7,15-16H2,1-4H3,(H,29,33)/t22-,27-/m0/s1.

What are the key properties of (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?

(6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one has a molecular weight of 475.59 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is sourced from PubChem (CID 157026524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).