3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide

C100H108N18O16S2 — CID 160908536

About 3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide

3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide (PubChem CID 160908536) has the molecular formula C100H108N18O16S2 and a molecular weight of 1882.21 g/mol. Its IUPAC name is 3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide.

Molecular Properties

• Compound Name: 3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide
• PubChem CID: 160908536
• Molecular Formula: C100H108N18O16S2
• Molecular Weight: 1882.21 g/mol
• Exact Mass: 1880.76
• IUPAC Name: 3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide
• SMILES: CC(=O)CS(=O)(=O)N[C@@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC[C@@H]4NC(=O)N(C)C)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC[C@H]4NC(=O)N(C)C)no2)cc1C#N.COCCS(=O)(=O)N[C@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
• InChI: InChI=1S/2C25H27N5O3.C25H26N4O5S.C25H28N4O5S/c2*1-15(2)32-22-12-11-16(13-17(22)14-26)24-28-23(29-33-24)20-9-5-8-19-18(20)7-6-10-21(19)27-25(31)30(3)4;1-15(2)33-23-11-10-17(12-18(23)13-26)25-27-24(28-34-25)21-8-4-7-20-19(21)6-5-9-22(20)29-35(31,32)14-16(3)30;1-16(2)33-23-11-10-17(14-18(23)15-26)25-27-24(28-34-25)21-8-4-7-20-19(21)6-5-9-22(20)29-35(30,31)13-12-32-3/h2*5,8-9,11-13,15,21H,6-7,10H2,1-4H3,(H,27,31);4,7-8,10-12,15,22,29H,5-6,9,14H2,1-3H3;4,7-8,10-11,14,16,22,29H,5-6,9,12-13H2,1-3H3/t2*21-;2*22-/m1010/s1
• InChIKey: SQLRTWVSRBETPW-ICXLTHIMSA-N
• XLogP: 17.38
• TPSA: 471.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1882.21
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide?

The IUPAC name of 3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide (CID 160908536) is 3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide.

What is the SMILES notation for 3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide?

The canonical SMILES for 3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide is CC(=O)CS(=O)(=O)N[C@@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC[C@@H]4NC(=O)N(C)C)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC[C@H]4NC(=O)N(C)C)no2)cc1C#N.COCCS(=O)(=O)N[C@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.

What is the InChIKey of 3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide?

The InChIKey is SQLRTWVSRBETPW-ICXLTHIMSA-N. The full InChI is InChI=1S/2C25H27N5O3.C25H26N4O5S.C25H28N4O5S/c2*1-15(2)32-22-12-11-16(13-17(22)14-26)24-28-23(29-33-24)20-9-5-8-19-18(20)7-6-10-21(19)27-25(31)30(3)4;1-15(2)33-23-11-10-17(12-18(23)13-26)25-27-24(28-34-25)21-8-4-7-20-19(21)6-5-9-22(20)29-35(31,32)14-16(3)30;1-16(2)33-23-11-10-17(14-18(23)15-26)25-27-24(28-34-25)21-8-4-7-20-19(21)6-5-9-22(20)29-35(30,31)13-12-32-3/h2*5,8-9,11-13,15,21H,6-7,10H2,1-4H3,(H,27,31);4,7-8,10-12,15,22,29H,5-6,9,14H2,1-3H3;4,7-8,10-11,14,16,22,29H,5-6,9,12-13H2,1-3H3/t2*21-;2*22-/m1010/s1.

What are the key properties of 3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide?

3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide has a molecular weight of 1882.21 g/mol, XLogP of 17.38, 27 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;3-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-dimethylurea;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyethanesulfonamide;N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxopropane-1-sulfonamide is sourced from PubChem (CID 160908536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).