3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole

C17H19N3O2 — CID 126809801

IUPAC3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)[C@@H]1CCO[C@@H]1c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C17H19N3O2/c1-10(2)13-6-8-21-15(13)17-19-16(20-22-17)12-4-3-11-5-7-18-14(11)9-12/h3-5,7,9-10,13,15,18H,6,8H2,1-2H3/t13-,15-/m0/s1
InChIKeyNUDJUXPHTDDTRB-ZFWWWQNUSA-N
MW297.36 g/mol
LogP3.95
Rot. Bonds3

About 3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole

3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole (PubChem CID 126809801) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole
PubChem CID126809801
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)[C@@H]1CCO[C@@H]1c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C17H19N3O2/c1-10(2)13-6-8-21-15(13)17-19-16(20-22-17)12-4-3-11-5-7-18-14(11)9-12/h3-5,7,9-10,13,15,18H,6,8H2,1-2H3/t13-,15-/m0/s1
InChIKeyNUDJUXPHTDDTRB-ZFWWWQNUSA-N
XLogP3.95
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42568930
3-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 81424995
N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 45369668
N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570665
5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole
CID 154800311
3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole
CID 124848377
(2S)-2-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 121256694
5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 124841769
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-propan-2-ylpyrrolidin-2-one
CID 72911459
2-[4-[5-[(2S,3S)-3-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol
CID 167755738
N-(2-cyclopropyloxolan-3-yl)-1H-indole-6-carboxamide
CID 103864226
4-(3-propan-2-yloxolan-2-yl)pyridine
CID 164726214

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole (CID 126809801) is 3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole is CC(C)[C@@H]1CCO[C@@H]1c1nc(-c2ccc3cc[nH]c3c2)no1.
What is the InChIKey of 3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole?
The InChIKey is NUDJUXPHTDDTRB-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10(2)13-6-8-21-15(13)17-19-16(20-22-17)12-4-3-11-5-7-18-14(11)9-12/h3-5,7,9-10,13,15,18H,6,8H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of 3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole?
3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole has a molecular weight of 297.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 126809801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).