5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile

C23H23N3O2 — CID 58355051

IUPAC5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
SMILESCN[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)o3)cccc21
InChIInChI=1S/C23H23N3O2/c1-14(2)27-21-10-7-15(11-16(21)12-24)23-26-13-22(28-23)19-6-4-5-18-17(19)8-9-20(18)25-3/h4-7,10-11,13-14,20,25H,8-9H2,1-3H3/t20-/m1/s1
InChIKeyFFPIPGVQITXBPD-HXUWFJFHSA-N
MW373.46 g/mol
LogP4.87
Rot. Bonds5

About 5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile

5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 58355051) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
PubChem CID58355051
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
SMILESCN[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)o3)cccc21
InChIInChI=1S/C23H23N3O2/c1-14(2)27-21-10-7-15(11-16(21)12-24)23-26-13-22(28-23)19-6-4-5-18-17(19)8-9-20(18)25-3/h4-7,10-11,13-14,20,25H,8-9H2,1-3H3/t20-/m1/s1
InChIKeyFFPIPGVQITXBPD-HXUWFJFHSA-N
XLogP4.87
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile (CID 58355051) is 5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile is CN[C@@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)o3)cccc21.
What is the InChIKey of 5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is FFPIPGVQITXBPD-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14(2)27-21-10-7-15(11-16(21)12-24)23-26-13-22(28-23)19-6-4-5-18-17(19)8-9-20(18)25-3/h4-7,10-11,13-14,20,25H,8-9H2,1-3H3/t20-/m1/s1.
What are the key properties of 5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?
5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 373.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 58355051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).