7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide

C16H18N4O4 — CID 166386581

IUPAC7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide
SMILESCOCCc1noc(CNC(=O)c2cc3cccc(OC)c3[nH]2)n1
InChIInChI=1S/C16H18N4O4/c1-22-7-6-13-19-14(24-20-13)9-17-16(21)11-8-10-4-3-5-12(23-2)15(10)18-11/h3-5,8,18H,6-7,9H2,1-2H3,(H,17,21)
InChIKeyYCWADRGPZSALRU-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.68
Rot. Bonds7

About 7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide

7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 166386581) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide
PubChem CID166386581
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide
SMILESCOCCc1noc(CNC(=O)c2cc3cccc(OC)c3[nH]2)n1
InChIInChI=1S/C16H18N4O4/c1-22-7-6-13-19-14(24-20-13)9-17-16(21)11-8-10-4-3-5-12(23-2)15(10)18-11/h3-5,8,18H,6-7,9H2,1-2H3,(H,17,21)
InChIKeyYCWADRGPZSALRU-UHFFFAOYSA-N
XLogP1.68
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide (CID 166386581) is 7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide is COCCc1noc(CNC(=O)c2cc3cccc(OC)c3[nH]2)n1.
What is the InChIKey of 7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is YCWADRGPZSALRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-22-7-6-13-19-14(24-20-13)9-17-16(21)11-8-10-4-3-5-12(23-2)15(10)18-11/h3-5,8,18H,6-7,9H2,1-2H3,(H,17,21).
What are the key properties of 7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide?
7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166386581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).