5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole

C20H19N3O2 — CID 139308391

IUPAC5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole
SMILESCC(C)(C)Oc1ccc(-c2noc(-c3ccc4[nH]ccc4c3)n2)cc1
InChIInChI=1S/C20H19N3O2/c1-20(2,3)24-16-7-4-13(5-8-16)18-22-19(25-23-18)15-6-9-17-14(12-15)10-11-21-17/h4-12,21H,1-3H3
InChIKeyOJNQHIDTSRQIFT-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.06
Rot. Bonds3

About 5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole

5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole (PubChem CID 139308391) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole
PubChem CID139308391
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole
SMILESCC(C)(C)Oc1ccc(-c2noc(-c3ccc4[nH]ccc4c3)n2)cc1
InChIInChI=1S/C20H19N3O2/c1-20(2,3)24-16-7-4-13(5-8-16)18-22-19(25-23-18)15-6-9-17-14(12-15)10-11-21-17/h4-12,21H,1-3H3
InChIKeyOJNQHIDTSRQIFT-UHFFFAOYSA-N
XLogP5.06
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 162651749
5-(4-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 162643919
5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole
CID 71460051
[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 82479873
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine
CID 82538568
5-(3,5-ditert-butylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143910337
5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455316
5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole
CID 126475199
5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one
CID 73331369
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
5-(4-tert-butylphenyl)-1H-indole
CID 16768580
N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]-1H-indole-5-carboxamide
CID 71557310

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole (CID 139308391) is 5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole is CC(C)(C)Oc1ccc(-c2noc(-c3ccc4[nH]ccc4c3)n2)cc1.
What is the InChIKey of 5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is OJNQHIDTSRQIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-20(2,3)24-16-7-4-13(5-8-16)18-22-19(25-23-18)15-6-9-17-14(12-15)10-11-21-17/h4-12,21H,1-3H3.
What are the key properties of 5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole?
5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 333.39 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 139308391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).