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

C24H25N3O2 — CID 58355038

IUPAC5-[5-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4N(C)C)o2)cc1C#N
InChIInChI=1S/C24H25N3O2/c1-15(2)28-22-11-8-16(12-17(22)13-25)24-26-14-23(29-24)20-7-5-6-19-18(20)9-10-21(19)27(3)4/h5-8,11-12,14-15,21H,9-10H2,1-4H3/t21-/m1/s1
InChIKeySDHYQQMWUWJGBZ-OAQYLSRUSA-N
MW387.48 g/mol
LogP5.22
Rot. Bonds5

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

5-[5-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 58355038) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-[5-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-[5-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
PubChem CID58355038
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name5-[5-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4N(C)C)o2)cc1C#N
InChIInChI=1S/C24H25N3O2/c1-15(2)28-22-11-8-16(12-17(22)13-25)24-26-14-23(29-24)20-7-5-6-19-18(20)9-10-21(19)27(3)4/h5-8,11-12,14-15,21H,9-10H2,1-4H3/t21-/m1/s1
InChIKeySDHYQQMWUWJGBZ-OAQYLSRUSA-N
XLogP5.22
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

UA62784
CID 3383533
3-(4-(5-(3-Cyano-4-isopropoxyphenyl)oxazol-2-yl)-3-methylphenyl)propanoic acid
CID 11675496
2-(4-Methoxyphenyl)-5-phenyl-1,3-oxazole
CID 798929
5-(5-(1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl)oxazol-2-yl)-2-isopropoxybenzonitrile
CID 58355073
2,5-Bis(4-methoxyphenyl)oxazole
CID 13404049
5-(5-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxazol-2-yl)-2-isopropoxybenzonitrile
CID 58354955
5-[4-(3-Methylbut-2-enoxy)phenyl]-2-phenyl-1,3-oxazole
CID 137644688
5-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-2-phenyl-1,3-oxazole
CID 137645278
2-(4-Methoxyphenyl)-5-(2-naphthyl)-oxazol
CID 86184382
5-(4-Ethoxyphenyl)-2-phenyl-1,3-oxazole
CID 57413613
4-[2-[4-(fluoromethoxy)phenyl]-1,3-oxazol-5-yl]-N,N-dimethylaniline
CID 67094230
6-fluoro-2-(2-oxopentan-3-yl)-4-[2-[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl]-3H-isoindol-1-one
CID 166794945

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-[5-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile (CID 58355038) is 5-[5-[(1R)-1-(dimethylamino)-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-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-[5-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4N(C)C)o2)cc1C#N.
What is the InChIKey of 5-[5-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is SDHYQQMWUWJGBZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15(2)28-22-11-8-16(12-17(22)13-25)24-26-14-23(29-24)20-7-5-6-19-18(20)9-10-21(19)27(3)4/h5-8,11-12,14-15,21H,9-10H2,1-4H3/t21-/m1/s1.
What are the key properties of 5-[5-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile?
5-[5-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 387.48 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-oxazol-2-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 58355038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).