N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide

C27H35N5O4 — CID 157026210

About N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide

N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide (PubChem CID 157026210) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

• Compound Name: N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide
• PubChem CID: 157026210
• Molecular Formula: C27H35N5O4
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.27
• IUPAC Name: N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide
• SMILES: CC(C)c1ccc([C@](O)(c2cncc(-c3noc(CCN(C)C(=O)CO)n3)c2)C2(C)CN(C)C2)cc1
• InChI: InChI=1S/C27H35N5O4/c1-18(2)19-6-8-21(9-7-19)27(35,26(3)16-31(4)17-26)22-12-20(13-28-14-22)25-29-23(36-30-25)10-11-32(5)24(34)15-33/h6-9,12-14,18,33,35H,10-11,15-17H2,1-5H3/t27-/m0/s1
• InChIKey: JYDATCILPXVNTB-MHZLTWQESA-N
• XLogP: 2.44
• TPSA: 115.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide?

The IUPAC name of N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide (CID 157026210) is N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide.

What is the SMILES notation for N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide?

The canonical SMILES for N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide is CC(C)c1ccc([C@](O)(c2cncc(-c3noc(CCN(C)C(=O)CO)n3)c2)C2(C)CN(C)C2)cc1.

What is the InChIKey of N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide?

The InChIKey is JYDATCILPXVNTB-MHZLTWQESA-N. The full InChI is InChI=1S/C27H35N5O4/c1-18(2)19-6-8-21(9-7-19)27(35,26(3)16-31(4)17-26)22-12-20(13-28-14-22)25-29-23(36-30-25)10-11-32(5)24(34)15-33/h6-9,12-14,18,33,35H,10-11,15-17H2,1-5H3/t27-/m0/s1.

What are the key properties of N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide?

N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide has a molecular weight of 493.61 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 157026210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).