3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide

C19H24N4O2 — CID 46992621

IUPAC3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCc1cc2ccccc2n1CCC(=O)NCc1nc(CC(C)C)no1
InChIInChI=1S/C19H24N4O2/c1-13(2)10-17-21-19(25-22-17)12-20-18(24)8-9-23-14(3)11-15-6-4-5-7-16(15)23/h4-7,11,13H,8-10,12H2,1-3H3,(H,20,24)
InChIKeyYYMGFOZYJMGLHC-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.24
Rot. Bonds7

About 3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide

3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (PubChem CID 46992621) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
PubChem CID46992621
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCc1cc2ccccc2n1CCC(=O)NCc1nc(CC(C)C)no1
InChIInChI=1S/C19H24N4O2/c1-13(2)10-17-21-19(25-22-17)12-20-18(24)8-9-23-14(3)11-15-6-4-5-7-16(15)23/h4-7,11,13H,8-10,12H2,1-3H3,(H,20,24)
InChIKeyYYMGFOZYJMGLHC-UHFFFAOYSA-N
XLogP3.24
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The IUPAC name of 3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (CID 46992621) is 3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The canonical SMILES for 3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is Cc1cc2ccccc2n1CCC(=O)NCc1nc(CC(C)C)no1.
What is the InChIKey of 3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The InChIKey is YYMGFOZYJMGLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)10-17-21-19(25-22-17)12-20-18(24)8-9-23-14(3)11-15-6-4-5-7-16(15)23/h4-7,11,13H,8-10,12H2,1-3H3,(H,20,24).
What are the key properties of 3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 46992621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).