1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile

C27H30ClN5O2Si — CID 68789562

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile
SMILESCC(O[Si](C)(C)C(C)(C)C)C(c1nnc(-c2ccc(C#N)cc2)o1)N1CCc2c1ccc(C#N)c2Cl
InChIInChI=1S/C27H30ClN5O2Si/c1-17(35-36(5,6)27(2,3)4)24(33-14-13-21-22(33)12-11-20(16-30)23(21)28)26-32-31-25(34-26)19-9-7-18(15-29)8-10-19/h7-12,17,24H,13-14H2,1-6H3
InChIKeyOVVIXBPTRPLWCL-UHFFFAOYSA-N
MW520.11 g/mol
LogP6.65
Rot. Bonds6

About 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile

1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile (PubChem CID 68789562) has the molecular formula C27H30ClN5O2Si and a molecular weight of 520.11 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile
PubChem CID68789562
Molecular FormulaC27H30ClN5O2Si
Molecular Weight520.11 g/mol
Exact Mass519.19
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile
SMILESCC(O[Si](C)(C)C(C)(C)C)C(c1nnc(-c2ccc(C#N)cc2)o1)N1CCc2c1ccc(C#N)c2Cl
InChIInChI=1S/C27H30ClN5O2Si/c1-17(35-36(5,6)27(2,3)4)24(33-14-13-21-22(33)12-11-20(16-30)23(21)28)26-32-31-25(34-26)19-9-7-18(15-29)8-10-19/h7-12,17,24H,13-14H2,1-6H3
InChIKeyOVVIXBPTRPLWCL-UHFFFAOYSA-N
XLogP6.65
TPSA98.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.11
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile (CID 68789562) is 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile is CC(O[Si](C)(C)C(C)(C)C)C(c1nnc(-c2ccc(C#N)cc2)o1)N1CCc2c1ccc(C#N)c2Cl.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile?
The InChIKey is OVVIXBPTRPLWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O2Si/c1-17(35-36(5,6)27(2,3)4)24(33-14-13-21-22(33)12-11-20(16-30)23(21)28)26-32-31-25(34-26)19-9-7-18(15-29)8-10-19/h7-12,17,24H,13-14H2,1-6H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile?
1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile has a molecular weight of 520.11 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]propyl]-4-chloro-2,3-dihydroindole-5-carbonitrile is sourced from PubChem (CID 68789562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).