[1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate

C30H35N5O5 — CID 67312268

About [1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate

[1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate (PubChem CID 67312268) has the molecular formula C30H35N5O5 and a molecular weight of 545.64 g/mol. Its IUPAC name is [1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate.

Molecular Properties

• Compound Name: [1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate
• PubChem CID: 67312268
• Molecular Formula: C30H35N5O5
• Molecular Weight: 545.64 g/mol
• Exact Mass: 545.26
• IUPAC Name: [1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate
• SMILES: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4C(OC(=O)NC(C)(C)C)C(=O)N(C)C)no2)cc1C#N
• InChI: InChI=1S/C30H35N5O5/c1-17(2)38-24-14-11-18(15-19(24)16-31)27-32-26(34-40-27)23-10-8-9-20-21(23)12-13-22(20)25(28(36)35(6)7)39-29(37)33-30(3,4)5/h8-11,14-15,17,22,25H,12-13H2,1-7H3,(H,33,37)
• InChIKey: JKNSDWLNRXYBAQ-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 130.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.64
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate?

The IUPAC name of [1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate (CID 67312268) is [1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate.

What is the SMILES notation for [1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate?

The canonical SMILES for [1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4C(OC(=O)NC(C)(C)C)C(=O)N(C)C)no2)cc1C#N.

What is the InChIKey of [1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate?

The InChIKey is JKNSDWLNRXYBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O5/c1-17(2)38-24-14-11-18(15-19(24)16-31)27-32-26(34-40-27)23-10-8-9-20-21(23)12-13-22(20)25(28(36)35(6)7)39-29(37)33-30(3,4)5/h8-11,14-15,17,22,25H,12-13H2,1-7H3,(H,33,37).

What are the key properties of [1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate?

[1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate has a molecular weight of 545.64 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)-2-oxoethyl] N-tert-butylcarbamate is sourced from PubChem (CID 67312268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).