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

C19H22N4O3 — CID 99945911

IUPAC3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCc1noc([C@H]2CCCO2)n1
InChIInChI=1S/C19H22N4O3/c24-18(8-7-13-12-21-15-5-2-1-4-14(13)15)20-10-9-17-22-19(26-23-17)16-6-3-11-25-16/h1-2,4-5,12,16,21H,3,6-11H2,(H,20,24)/t16-/m1/s1
InChIKeyFBGSVMSZKRMCES-MRXNPFEDSA-N
MW354.41 g/mol
LogP2.69
Rot. Bonds7

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

3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide (PubChem CID 99945911) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
PubChem CID99945911
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCc1noc([C@H]2CCCO2)n1
InChIInChI=1S/C19H22N4O3/c24-18(8-7-13-12-21-15-5-2-1-4-14(13)15)20-10-9-17-22-19(26-23-17)16-6-3-11-25-16/h1-2,4-5,12,16,21H,3,6-11H2,(H,20,24)/t16-/m1/s1
InChIKeyFBGSVMSZKRMCES-MRXNPFEDSA-N
XLogP2.69
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 125164412
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935158
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(2-methylbenzimidazol-1-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99974647
3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide
CID 86284289
1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 125164773
3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-imidazole-5-carboxamide
CID 90648078
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 90649458

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide (CID 99945911) is 3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide is O=C(CCc1c[nH]c2ccccc12)NCCc1noc([C@H]2CCCO2)n1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The InChIKey is FBGSVMSZKRMCES-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(8-7-13-12-21-15-5-2-1-4-14(13)15)20-10-9-17-22-19(26-23-17)16-6-3-11-25-16/h1-2,4-5,12,16,21H,3,6-11H2,(H,20,24)/t16-/m1/s1.
What are the key properties of 3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.69, 7 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-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide is sourced from PubChem (CID 99945911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).