5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

C25H28N4O3 — CID 52938802

IUPAC5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC(C)(C)CO)no2)cc1C#N
InChIInChI=1S/C25H28N4O3/c1-15(2)31-22-11-8-16(12-17(22)13-26)24-27-23(29-32-24)20-7-5-6-19-18(20)9-10-21(19)28-25(3,4)14-30/h5-8,11-12,15,21,28,30H,9-10,14H2,1-4H3
InChIKeyNNXNBIIJDTWYHB-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.41
Rot. Bonds7

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

5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 52938802) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
PubChem CID52938802
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC(C)(C)CO)no2)cc1C#N
InChIInChI=1S/C25H28N4O3/c1-15(2)31-22-11-8-16(12-17(22)13-26)24-27-23(29-32-24)20-7-5-6-19-18(20)9-10-21(19)28-25(3,4)14-30/h5-8,11-12,15,21,28,30H,9-10,14H2,1-4H3
InChIKeyNNXNBIIJDTWYHB-UHFFFAOYSA-N
XLogP4.41
TPSA104.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (CID 52938802) is 5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)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-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC(C)(C)CO)no2)cc1C#N.
What is the InChIKey of 5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is NNXNBIIJDTWYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-15(2)31-22-11-8-16(12-17(22)13-26)24-27-23(29-32-24)20-7-5-6-19-18(20)9-10-21(19)28-25(3,4)14-30/h5-8,11-12,15,21,28,30H,9-10,14H2,1-4H3.
What are the key properties of 5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 432.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 52938802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).