2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide

C27H31N5O3 — CID 58344529

About 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide

2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide (PubChem CID 58344529) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide
• PubChem CID: 58344529
• Molecular Formula: C27H31N5O3
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.24
• IUPAC Name: 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide
• SMILES: CCN(CC(=O)N(C)C)[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
• InChI: InChI=1S/C27H31N5O3/c1-6-32(16-25(33)31(4)5)23-12-11-20-21(23)8-7-9-22(20)26-29-27(35-30-26)18-10-13-24(34-17(2)3)19(14-18)15-28/h7-10,13-14,17,23H,6,11-12,16H2,1-5H3/t23-/m1/s1
• InChIKey: REVIBPCXMWZNCJ-HSZRJFAPSA-N
• XLogP: 4.46
• TPSA: 95.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide?

The IUPAC name of 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide (CID 58344529) is 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.

What is the InChIKey of 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide?

The InChIKey is REVIBPCXMWZNCJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-6-32(16-25(33)31(4)5)23-12-11-20-21(23)8-7-9-22(20)26-29-27(35-30-26)18-10-13-24(34-17(2)3)19(14-18)15-28/h7-10,13-14,17,23H,6,11-12,16H2,1-5H3/t23-/m1/s1.

What are the key properties of 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide?

2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide has a molecular weight of 473.58 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 58344529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).