5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

C24H22N4O4 — CID 52939655

IUPAC5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N3CCOC3=O)no2)cc1C#N
InChIInChI=1S/C24H22N4O4/c1-14(2)31-21-9-6-15(12-16(21)13-25)23-26-22(27-32-23)19-5-3-4-18-17(19)7-8-20(18)28-10-11-30-24(28)29/h3-6,9,12,14,20H,7-8,10-11H2,1-2H3/t20-/m1/s1
InChIKeyHBYQXRMJUJILDD-HXUWFJFHSA-N
MW430.46 g/mol
LogP4.50
Rot. Bonds5

About 5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 52939655) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
PubChem CID52939655
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N3CCOC3=O)no2)cc1C#N
InChIInChI=1S/C24H22N4O4/c1-14(2)31-21-9-6-15(12-16(21)13-25)23-26-22(27-32-23)19-5-3-4-18-17(19)7-8-20(18)28-10-11-30-24(28)29/h3-6,9,12,14,20H,7-8,10-11H2,1-2H3/t20-/m1/s1
InChIKeyHBYQXRMJUJILDD-HXUWFJFHSA-N
XLogP4.50
TPSA101.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-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-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (CID 52939655) is 5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-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-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N3CCOC3=O)no2)cc1C#N.
What is the InChIKey of 5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is HBYQXRMJUJILDD-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-14(2)31-21-9-6-15(12-16(21)13-25)23-26-22(27-32-23)19-5-3-4-18-17(19)7-8-20(18)28-10-11-30-24(28)29/h3-6,9,12,14,20H,7-8,10-11H2,1-2H3/t20-/m1/s1.
What are the key properties of 5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 430.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1R)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 52939655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).