1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol

C88H91N11O11 — CID 158412016

IUPAC1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol
SMILESCOCCCC(=O)Cc1c[nH]c2ccc(O)cc12.Oc1ccc2[nH]cc(CCCc3ccccn3)c2c1.Oc1ccc2[nH]cc(CCCc3cccnc3)c2c1.Oc1ccc2[nH]cc(CCCc3ccno3)c2c1.Oc1ccc2[nH]cc(CCCc3ccon3)c2c1.Oc1ccc2[nH]cc(CCCc3ncco3)c2c1
InChIInChI=1S/2C16H16N2O.3C14H14N2O2.C14H17NO3/c19-14-6-7-16-15(9-14)13(11-18-16)5-1-3-12-4-2-8-17-10-12;19-14-7-8-16-15(10-14)12(11-18-16)4-3-6-13-5-1-2-9-17-13;17-11-4-5-13-12(8-11)10(9-16-13)2-1-3-14-15-6-7-18-14;17-11-4-5-14-13(8-11)10(9-15-14)2-1-3-12-6-7-16-18-12;17-12-4-5-14-13(8-12)10(9-15-14)2-1-3-11-6-7-18-16-11;1-18-6-2-3-11(16)7-10-9-15-14-5-4-12(17)8-13(10)14/h2,4,6-11,18-19H,1,3,5H2;1-2,5,7-11,18-19H,3-4,6H2;4-9,16-17H,1-3H2;2*4-9,15,17H,1-3H2;4-5,8-9,15,17H,2-3,6-7H2,1H3
InChIKeyGZKUIOGUBGUVDP-UHFFFAOYSA-N
MW1478.76 g/mol
LogP18.41
Rot. Bonds26

About 1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol

1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol (PubChem CID 158412016) has the molecular formula C88H91N11O11 and a molecular weight of 1478.76 g/mol. Its IUPAC name is 1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol.

Molecular Properties

Compound Name1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol
PubChem CID158412016
Molecular FormulaC88H91N11O11
Molecular Weight1478.76 g/mol
Exact Mass1477.69
IUPAC Name1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol
SMILESCOCCCC(=O)Cc1c[nH]c2ccc(O)cc12.Oc1ccc2[nH]cc(CCCc3ccccn3)c2c1.Oc1ccc2[nH]cc(CCCc3cccnc3)c2c1.Oc1ccc2[nH]cc(CCCc3ccno3)c2c1.Oc1ccc2[nH]cc(CCCc3ccon3)c2c1.Oc1ccc2[nH]cc(CCCc3ncco3)c2c1
InChIInChI=1S/2C16H16N2O.3C14H14N2O2.C14H17NO3/c19-14-6-7-16-15(9-14)13(11-18-16)5-1-3-12-4-2-8-17-10-12;19-14-7-8-16-15(10-14)12(11-18-16)4-3-6-13-5-1-2-9-17-13;17-11-4-5-13-12(8-11)10(9-16-13)2-1-3-14-15-6-7-18-14;17-11-4-5-14-13(8-11)10(9-15-14)2-1-3-12-6-7-16-18-12;17-12-4-5-14-13(8-12)10(9-15-14)2-1-3-11-6-7-18-16-11;1-18-6-2-3-11(16)7-10-9-15-14-5-4-12(17)8-13(10)14/h2,4,6-11,18-19H,1,3,5H2;1-2,5,7-11,18-19H,3-4,6H2;4-9,16-17H,1-3H2;2*4-9,15,17H,1-3H2;4-5,8-9,15,17H,2-3,6-7H2,1H3
InChIKeyGZKUIOGUBGUVDP-UHFFFAOYSA-N
XLogP18.41
TPSA346.29 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001478.76
LogP ≤ 518.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol?
The IUPAC name of 1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol (CID 158412016) is 1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol.
What is the SMILES notation for 1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol?
The canonical SMILES for 1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol is COCCCC(=O)Cc1c[nH]c2ccc(O)cc12.Oc1ccc2[nH]cc(CCCc3ccccn3)c2c1.Oc1ccc2[nH]cc(CCCc3cccnc3)c2c1.Oc1ccc2[nH]cc(CCCc3ccno3)c2c1.Oc1ccc2[nH]cc(CCCc3ccon3)c2c1.Oc1ccc2[nH]cc(CCCc3ncco3)c2c1.
What is the InChIKey of 1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol?
The InChIKey is GZKUIOGUBGUVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16N2O.3C14H14N2O2.C14H17NO3/c19-14-6-7-16-15(9-14)13(11-18-16)5-1-3-12-4-2-8-17-10-12;19-14-7-8-16-15(10-14)12(11-18-16)4-3-6-13-5-1-2-9-17-13;17-11-4-5-13-12(8-11)10(9-16-13)2-1-3-14-15-6-7-18-14;17-11-4-5-14-13(8-11)10(9-15-14)2-1-3-12-6-7-16-18-12;17-12-4-5-14-13(8-12)10(9-15-14)2-1-3-11-6-7-18-16-11;1-18-6-2-3-11(16)7-10-9-15-14-5-4-12(17)8-13(10)14/h2,4,6-11,18-19H,1,3,5H2;1-2,5,7-11,18-19H,3-4,6H2;4-9,16-17H,1-3H2;2*4-9,15,17H,1-3H2;4-5,8-9,15,17H,2-3,6-7H2,1H3.
What are the key properties of 1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol?
1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol has a molecular weight of 1478.76 g/mol, XLogP of 18.41, 26 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1H-indol-3-yl)-5-methoxypentan-2-one;3-[3-(1,2-oxazol-3-yl)propyl]-1H-indol-5-ol;3-[3-(1,2-oxazol-5-yl)propyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol;3-(3-pyridin-2-ylpropyl)-1H-indol-5-ol;3-(3-pyridin-3-ylpropyl)-1H-indol-5-ol is sourced from PubChem (CID 158412016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).