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

C24H25N3O3 — CID 58355073

IUPAC5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4NCCO)o2)cc1C#N
InChIInChI=1S/C24H25N3O3/c1-15(2)29-22-9-6-16(12-17(22)13-25)24-27-14-23(30-24)20-5-3-4-19-18(20)7-8-21(19)26-10-11-28/h3-6,9,12,14-15,21,26,28H,7-8,10-11H2,1-2H3
InChIKeyLICQOMGJILFGPK-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.24
Rot. Bonds7

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

5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 58355073) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
PubChem CID58355073
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4NCCO)o2)cc1C#N
InChIInChI=1S/C24H25N3O3/c1-15(2)29-22-9-6-16(12-17(22)13-25)24-27-14-23(30-24)20-5-3-4-19-18(20)7-8-21(19)26-10-11-28/h3-6,9,12,14-15,21,26,28H,7-8,10-11H2,1-2H3
InChIKeyLICQOMGJILFGPK-UHFFFAOYSA-N
XLogP4.24
TPSA91.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile (CID 58355073) is 5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4NCCO)o2)cc1C#N.
What is the InChIKey of 5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is LICQOMGJILFGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15(2)29-22-9-6-16(12-17(22)13-25)24-27-14-23(30-24)20-5-3-4-19-18(20)7-8-21(19)26-10-11-28/h3-6,9,12,14-15,21,26,28H,7-8,10-11H2,1-2H3.
What are the key properties of 5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?
5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 403.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 58355073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).