4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide

C17H20N4O3 — CID 91794074

IUPAC4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESCOCc1noc(CNC(=O)CCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C17H20N4O3/c1-23-11-15-20-17(24-21-15)10-19-16(22)8-4-5-12-9-18-14-7-3-2-6-13(12)14/h2-3,6-7,9,18H,4-5,8,10-11H2,1H3,(H,19,22)
InChIKeyCBUNAFJQJAAIEM-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.34
Rot. Bonds8

About 4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide

4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide (PubChem CID 91794074) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
PubChem CID91794074
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESCOCc1noc(CNC(=O)CCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C17H20N4O3/c1-23-11-15-20-17(24-21-15)10-19-16(22)8-4-5-12-9-18-14-7-3-2-6-13(12)14/h2-3,6-7,9,18H,4-5,8,10-11H2,1H3,(H,19,22)
InChIKeyCBUNAFJQJAAIEM-UHFFFAOYSA-N
XLogP2.34
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide with MolForge

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Related Compounds

N'-[2-(1H-indol-3-yl)acetyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 55822207
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 90649458
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
CID 104579103
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
CID 91917705
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide (CID 91794074) is 4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide is COCc1noc(CNC(=O)CCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The InChIKey is CBUNAFJQJAAIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-11-15-20-17(24-21-15)10-19-16(22)8-4-5-12-9-18-14-7-3-2-6-13(12)14/h2-3,6-7,9,18H,4-5,8,10-11H2,1H3,(H,19,22).
What are the key properties of 4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide has a molecular weight of 328.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide is sourced from PubChem (CID 91794074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).