3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide

C18H20N4O3 — CID 125164412

IUPAC3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1noc([C@@H]2CCCO2)n1
InChIInChI=1S/C18H20N4O3/c23-17(8-7-12-10-19-14-5-2-1-4-13(12)14)20-11-16-21-18(25-22-16)15-6-3-9-24-15/h1-2,4-5,10,15,19H,3,6-9,11H2,(H,20,23)/t15-/m0/s1
InChIKeyATVSGBGTHHNPHN-HNNXBMFYSA-N
MW340.38 g/mol
LogP2.65
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide

3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide (PubChem CID 125164412) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
PubChem CID125164412
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1noc([C@@H]2CCCO2)n1
InChIInChI=1S/C18H20N4O3/c23-17(8-7-12-10-19-14-5-2-1-4-13(12)14)20-11-16-21-18(25-22-16)15-6-3-9-24-15/h1-2,4-5,10,15,19H,3,6-9,11H2,(H,20,23)/t15-/m0/s1
InChIKeyATVSGBGTHHNPHN-HNNXBMFYSA-N
XLogP2.65
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99945911
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 72904628
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 95867707
3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 95045939
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 135099312
2-(5-acetylthiophen-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 118769200

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide (CID 125164412) is 3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide is O=C(CCc1c[nH]c2ccccc12)NCc1noc([C@@H]2CCCO2)n1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The InChIKey is ATVSGBGTHHNPHN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-17(8-7-12-10-19-14-5-2-1-4-13(12)14)20-11-16-21-18(25-22-16)15-6-3-9-24-15/h1-2,4-5,10,15,19H,3,6-9,11H2,(H,20,23)/t15-/m0/s1.
What are the key properties of 3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide?
3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide is sourced from PubChem (CID 125164412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).