N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

C101H108N16O12 — CID 159139405

IUPACN-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCC(=O)CN[C@@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CCCC(=O)N[C@@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CCCN[C@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.COCC(=O)N[C@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
InChIInChI=1S/C26H28N4O3.C25H26N4O4.C25H26N4O3.C25H28N4O2/c1-4-7-24(31)28-22-11-6-8-19-20(22)9-5-10-21(19)25-29-26(33-30-25)17-12-13-23(32-16(2)3)18(14-17)15-27;1-15(2)32-22-11-10-16(12-17(22)13-26)25-28-24(29-33-25)20-8-4-7-19-18(20)6-5-9-21(19)27-23(30)14-31-3;1-15(2)31-23-11-10-17(12-18(23)13-26)25-28-24(29-32-25)21-8-4-7-20-19(21)6-5-9-22(20)27-14-16(3)30;1-4-13-27-22-10-6-7-19-20(22)8-5-9-21(19)24-28-25(31-29-24)17-11-12-23(30-16(2)3)18(14-17)15-26/h5,9-10,12-14,16,22H,4,6-8,11H2,1-3H3,(H,28,31);4,7-8,10-12,15,21H,5-6,9,14H2,1-3H3,(H,27,30);4,7-8,10-12,15,22,27H,5-6,9,14H2,1-3H3;5,8-9,11-12,14,16,22,27H,4,6-7,10,13H2,1-3H3/t22-;21-;2*22-/m1010/s1
InChIKeyKHXGZRMAUKCTGQ-UFICHJFNSA-N
MW1738.07 g/mol
LogP19.62
Rot. Bonds28

About N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 159139405) has the molecular formula C101H108N16O12 and a molecular weight of 1738.07 g/mol. Its IUPAC name is N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound NameN-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID159139405
Molecular FormulaC101H108N16O12
Molecular Weight1738.07 g/mol
Exact Mass1736.83
IUPAC NameN-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCC(=O)CN[C@@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CCCC(=O)N[C@@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CCCN[C@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.COCC(=O)N[C@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
InChIInChI=1S/C26H28N4O3.C25H26N4O4.C25H26N4O3.C25H28N4O2/c1-4-7-24(31)28-22-11-6-8-19-20(22)9-5-10-21(19)25-29-26(33-30-25)17-12-13-23(32-16(2)3)18(14-17)15-27;1-15(2)32-22-11-10-16(12-17(22)13-26)25-28-24(29-33-25)20-8-4-7-19-18(20)6-5-9-21(19)27-23(30)14-31-3;1-15(2)31-23-11-10-17(12-18(23)13-26)25-28-24(29-32-25)21-8-4-7-20-19(21)6-5-9-22(20)27-14-16(3)30;1-4-13-27-22-10-6-7-19-20(22)8-5-9-21(19)24-28-25(31-29-24)17-11-12-23(30-16(2)3)18(14-17)15-26/h5,9-10,12-14,16,22H,4,6-8,11H2,1-3H3,(H,28,31);4,7-8,10-12,15,21H,5-6,9,14H2,1-3H3,(H,27,30);4,7-8,10-12,15,22,27H,5-6,9,14H2,1-3H3;5,8-9,11-12,14,16,22,27H,4,6-7,10,13H2,1-3H3/t22-;21-;2*22-/m1010/s1
InChIKeyKHXGZRMAUKCTGQ-UFICHJFNSA-N
XLogP19.62
TPSA396.32 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001738.07
LogP ≤ 519.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (CID 159139405) is N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is CC(=O)CN[C@@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CCCC(=O)N[C@@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CCCN[C@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.COCC(=O)N[C@H]1CCCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.
What is the InChIKey of N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is KHXGZRMAUKCTGQ-UFICHJFNSA-N. The full InChI is InChI=1S/C26H28N4O3.C25H26N4O4.C25H26N4O3.C25H28N4O2/c1-4-7-24(31)28-22-11-6-8-19-20(22)9-5-10-21(19)25-29-26(33-30-25)17-12-13-23(32-16(2)3)18(14-17)15-27;1-15(2)32-22-11-10-16(12-17(22)13-26)25-28-24(29-33-25)20-8-4-7-19-18(20)6-5-9-21(19)27-23(30)14-31-3;1-15(2)31-23-11-10-17(12-18(23)13-26)25-28-24(29-32-25)21-8-4-7-20-19(21)6-5-9-22(20)27-14-16(3)30;1-4-13-27-22-10-6-7-19-20(22)8-5-9-21(19)24-28-25(31-29-24)17-11-12-23(30-16(2)3)18(14-17)15-26/h5,9-10,12-14,16,22H,4,6-8,11H2,1-3H3,(H,28,31);4,7-8,10-12,15,21H,5-6,9,14H2,1-3H3,(H,27,30);4,7-8,10-12,15,22,27H,5-6,9,14H2,1-3H3;5,8-9,11-12,14,16,22,27H,4,6-7,10,13H2,1-3H3/t22-;21-;2*22-/m1010/s1.
What are the key properties of N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 1738.07 g/mol, XLogP of 19.62, 28 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide;N-[(1S)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide;5-[3-[(5R)-5-(2-oxopropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[(5S)-5-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 159139405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).