2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

C17H21N3O3 — CID 135105074

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (PubChem CID 135105074) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
• PubChem CID: 135105074
• Molecular Formula: C17H21N3O3
• Molecular Weight: 315.37 g/mol
• Exact Mass: 315.16
• IUPAC Name: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
• SMILES: Cc1noc(C)c1CC(=O)N[C@H]1COC[C@H]1Cc1ccncc1
• InChI: InChI=1S/C17H21N3O3/c1-11-15(12(2)23-20-11)8-17(21)19-16-10-22-9-14(16)7-13-3-5-18-6-4-13/h3-6,14,16H,7-10H2,1-2H3,(H,19,21)/t14-,16+/m1/s1
• InChIKey: HVHYCLBTBZMORQ-ZBFHGGJFSA-N
• XLogP: 1.60
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.37
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?

The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (CID 135105074) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.

What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?

The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is Cc1noc(C)c1CC(=O)N[C@H]1COC[C@H]1Cc1ccncc1.

What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?

The InChIKey is HVHYCLBTBZMORQ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-15(12(2)23-20-11)8-17(21)19-16-10-22-9-14(16)7-13-3-5-18-6-4-13/h3-6,14,16H,7-10H2,1-2H3,(H,19,21)/t14-,16+/m1/s1.

What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 135105074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).