(5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone

C23H20N4O4 — CID 155810936

IUPAC(5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1nc(-c3cn(C)c4ccc(OC)cc34)no1)cn2C
InChIInChI=1S/C23H20N4O4/c1-26-11-17(15-9-13(29-3)5-7-19(15)26)21(28)23-24-22(25-31-23)18-12-27(2)20-8-6-14(30-4)10-16(18)20/h5-12H,1-4H3
InChIKeyNXBAINYEJYZAKE-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.97
Rot. Bonds5

About (5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone

(5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone (PubChem CID 155810936) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is (5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
PubChem CID155810936
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name(5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1nc(-c3cn(C)c4ccc(OC)cc34)no1)cn2C
InChIInChI=1S/C23H20N4O4/c1-26-11-17(15-9-13(29-3)5-7-19(15)26)21(28)23-24-22(25-31-23)18-12-27(2)20-8-6-14(30-4)10-16(18)20/h5-12H,1-4H3
InChIKeyNXBAINYEJYZAKE-UHFFFAOYSA-N
XLogP3.97
TPSA84.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone?
The IUPAC name of (5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone (CID 155810936) is (5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone.
What is the SMILES notation for (5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone?
The canonical SMILES for (5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone is COc1ccc2c(c1)c(C(=O)c1nc(-c3cn(C)c4ccc(OC)cc34)no1)cn2C.
What is the InChIKey of (5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone?
The InChIKey is NXBAINYEJYZAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-26-11-17(15-9-13(29-3)5-7-19(15)26)21(28)23-24-22(25-31-23)18-12-27(2)20-8-6-14(30-4)10-16(18)20/h5-12H,1-4H3.
What are the key properties of (5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone?
(5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone has a molecular weight of 416.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-methylindol-3-yl)-[3-(5-methoxy-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone is sourced from PubChem (CID 155810936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).