2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide

C20H21N5O3 — CID 161069738

About 2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide

2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide (PubChem CID 161069738) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide
• PubChem CID: 161069738
• Molecular Formula: C20H21N5O3
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.16
• IUPAC Name: 2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide
• SMILES: CCc1nc(-c2ccc3c(c2)CC[C@H]3CC(=O)c2cnn(CC(N)=O)c2)no1
• InChI: InChI=1S/C20H21N5O3/c1-2-19-23-20(24-28-19)14-5-6-16-12(7-14)3-4-13(16)8-17(26)15-9-22-25(10-15)11-18(21)27/h5-7,9-10,13H,2-4,8,11H2,1H3,(H2,21,27)/t13-/m0/s1
• InChIKey: UEMPODGIZSKVIZ-ZDUSSCGKSA-N
• XLogP: 2.28
• TPSA: 116.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide?

The IUPAC name of 2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide (CID 161069738) is 2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide.

What is the SMILES notation for 2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide?

The canonical SMILES for 2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide is CCc1nc(-c2ccc3c(c2)CC[C@H]3CC(=O)c2cnn(CC(N)=O)c2)no1.

What is the InChIKey of 2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide?

The InChIKey is UEMPODGIZSKVIZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-2-19-23-20(24-28-19)14-5-6-16-12(7-14)3-4-13(16)8-17(26)15-9-22-25(10-15)11-18(21)27/h5-7,9-10,13H,2-4,8,11H2,1H3,(H2,21,27)/t13-/m0/s1.

What are the key properties of 2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide?

2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 161069738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).