[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate

C25H24N4O5 — CID 142470674

IUPAC[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC=C4OC(=O)C(N)C(C)O)no2)cc1C#N
InChIInChI=1S/C25H24N4O5/c1-13(2)32-20-9-7-15(11-16(20)12-26)24-28-23(29-34-24)19-6-4-5-18-17(19)8-10-21(18)33-25(31)22(27)14(3)30/h4-7,9-11,13-14,22,30H,8,27H2,1-3H3
InChIKeyKZPCNTVPBYGPCF-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.21
Rot. Bonds7

About [4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate

[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate (PubChem CID 142470674) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is [4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Name[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate
PubChem CID142470674
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Name[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC=C4OC(=O)C(N)C(C)O)no2)cc1C#N
InChIInChI=1S/C25H24N4O5/c1-13(2)32-20-9-7-15(11-16(20)12-26)24-28-23(29-34-24)19-6-4-5-18-17(19)8-10-21(18)33-25(31)22(27)14(3)30/h4-7,9-11,13-14,22,30H,8,27H2,1-3H3
InChIKeyKZPCNTVPBYGPCF-UHFFFAOYSA-N
XLogP3.21
TPSA144.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate with MolForge

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Related Compounds

[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] N,N-dimethylcarbamate
CID 142470702
[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-methylbenzoate
CID 142470717
2-propan-2-yloxy-5-[3-(1-sulfinatooxy-3H-inden-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;rhenium
CID 142470726
5-[3-(1-oxo-2,3-dihydroinden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 142470713
5-[3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 58344610
5-[3-[1-(1-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 146476680
5-[3-(6-oxo-1a,6a-dihydro-1H-cyclopropa[a]inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 142284662
5-[3-(2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-pyrrolidin-1-ylacetamide
CID 144841117
5-[3-(1H-indazol-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 53247368
5-[3-[(1R)-1-[[(2R)-3-oxobutan-2-yl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 58344779
[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl] 2,2-dimethylpropanoate
CID 52938801
5-[3-(1-methoxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 123835627

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate?
The IUPAC name of [4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate (CID 142470674) is [4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate.
What is the SMILES notation for [4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate?
The canonical SMILES for [4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC=C4OC(=O)C(N)C(C)O)no2)cc1C#N.
What is the InChIKey of [4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate?
The InChIKey is KZPCNTVPBYGPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-13(2)32-20-9-7-15(11-16(20)12-26)24-28-23(29-34-24)19-6-4-5-18-17(19)8-10-21(18)33-25(31)22(27)14(3)30/h4-7,9-11,13-14,22,30H,8,27H2,1-3H3.
What are the key properties of [4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate?
[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate has a molecular weight of 460.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-inden-1-yl] 2-amino-3-hydroxybutanoate is sourced from PubChem (CID 142470674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).