5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole

C17H16N4O2 — CID 86298685

IUPAC5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc2c3ccnc(C)c3n(CCc3ncno3)c2c1
InChIInChI=1S/C17H16N4O2/c1-11-17-14(5-7-18-11)13-4-3-12(22-2)9-15(13)21(17)8-6-16-19-10-20-23-16/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyYTYVERVTSZVXFF-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.13
Rot. Bonds4

About 5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole

5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 86298685) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole
PubChem CID86298685
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc2c3ccnc(C)c3n(CCc3ncno3)c2c1
InChIInChI=1S/C17H16N4O2/c1-11-17-14(5-7-18-11)13-4-3-12(22-2)9-15(13)21(17)8-6-16-19-10-20-23-16/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyYTYVERVTSZVXFF-UHFFFAOYSA-N
XLogP3.13
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole (CID 86298685) is 5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole is COc1ccc2c3ccnc(C)c3n(CCc3ncno3)c2c1.
What is the InChIKey of 5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is YTYVERVTSZVXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-17-14(5-7-18-11)13-4-3-12(22-2)9-15(13)21(17)8-6-16-19-10-20-23-16/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole?
5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 308.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86298685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).