ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate

C24H26N4O4 — CID 58222443

IUPACethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate
SMILESCCOC(=O)CCc1cc2cc(-c3noc(-c4cnc(OC(C)C)c(C)c4)n3)ccc2[nH]1
InChIInChI=1S/C24H26N4O4/c1-5-30-21(29)9-7-19-12-17-11-16(6-8-20(17)26-19)22-27-24(32-28-22)18-10-15(4)23(25-13-18)31-14(2)3/h6,8,10-14,26H,5,7,9H2,1-4H3
InChIKeyLRFMNTPSFOOEMA-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.87
Rot. Bonds8

About ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate

ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate (PubChem CID 58222443) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate
PubChem CID58222443
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Nameethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate
SMILESCCOC(=O)CCc1cc2cc(-c3noc(-c4cnc(OC(C)C)c(C)c4)n3)ccc2[nH]1
InChIInChI=1S/C24H26N4O4/c1-5-30-21(29)9-7-19-12-17-11-16(6-8-20(17)26-19)22-27-24(32-28-22)18-10-15(4)23(25-13-18)31-14(2)3/h6,8,10-14,26H,5,7,9H2,1-4H3
InChIKeyLRFMNTPSFOOEMA-UHFFFAOYSA-N
XLogP4.87
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate?
The IUPAC name of ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate (CID 58222443) is ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate?
The canonical SMILES for ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate is CCOC(=O)CCc1cc2cc(-c3noc(-c4cnc(OC(C)C)c(C)c4)n3)ccc2[nH]1.
What is the InChIKey of ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate?
The InChIKey is LRFMNTPSFOOEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-5-30-21(29)9-7-19-12-17-11-16(6-8-20(17)26-19)22-27-24(32-28-22)18-10-15(4)23(25-13-18)31-14(2)3/h6,8,10-14,26H,5,7,9H2,1-4H3.
What are the key properties of ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate?
ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate has a molecular weight of 434.50 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate is sourced from PubChem (CID 58222443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).