5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

C27H29N5O4 — CID 58344864

About 5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 58344864) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

• Compound Name: 5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
• PubChem CID: 58344864
• Molecular Formula: C27H29N5O4
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.22
• IUPAC Name: 5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
• SMILES: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@@H](O)C3)no2)cc1C#N
• InChI: InChI=1S/C27H29N5O4/c1-16(2)35-24-9-6-17(12-18(24)13-28)27-30-26(31-36-27)22-5-3-4-21-20(22)7-8-23(21)29-14-25(34)32-11-10-19(33)15-32/h3-6,9,12,16,19,23,29,33H,7-8,10-11,14-15H2,1-2H3/t19-,23-/m1/s1
• InChIKey: KQXOGRUVHYXXAQ-AUSIDOKSSA-N
• XLogP: 3.23
• TPSA: 124.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

The IUPAC name of 5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (CID 58344864) is 5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.

What is the SMILES notation for 5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

The canonical SMILES for 5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@@H](O)C3)no2)cc1C#N.

What is the InChIKey of 5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

The InChIKey is KQXOGRUVHYXXAQ-AUSIDOKSSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-16(2)35-24-9-6-17(12-18(24)13-28)27-30-26(31-36-27)22-5-3-4-21-20(22)7-8-23(21)29-14-25(34)32-11-10-19(33)15-32/h3-6,9,12,16,19,23,29,33H,7-8,10-11,14-15H2,1-2H3/t19-,23-/m1/s1.

What are the key properties of 5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 487.56 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 58344864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).