5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole

C17H21N3O — CID 137255750

IUPAC5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole
SMILESCCCCCC(C)c1nc(-c2c[nH]c3ccccc23)no1
InChIInChI=1S/C17H21N3O/c1-3-4-5-8-12(2)17-19-16(20-21-17)14-11-18-15-10-7-6-9-13(14)15/h6-7,9-12,18H,3-5,8H2,1-2H3
InChIKeyIHQREBOLELLDFK-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.90
Rot. Bonds6

About 5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole

5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole (PubChem CID 137255750) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole
PubChem CID137255750
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole
SMILESCCCCCC(C)c1nc(-c2c[nH]c3ccccc23)no1
InChIInChI=1S/C17H21N3O/c1-3-4-5-8-12(2)17-19-16(20-21-17)14-11-18-15-10-7-6-9-13(14)15/h6-7,9-12,18H,3-5,8H2,1-2H3
InChIKeyIHQREBOLELLDFK-UHFFFAOYSA-N
XLogP4.90
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dodecan-2-yl-2H-isoindole
CID 173177351
1-decan-2-yl-2H-isoindole
CID 173176942
1-undecan-2-yl-2H-isoindole
CID 173176533
3-butyl-5-[1-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 135959599
2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 137303295
5-hexan-2-yl-3-(6-pentoxynaphthalen-2-yl)-1,2,4-oxadiazole
CID 131981288
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685789
4-octan-2-yl-1H-indole
CID 130223302
N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine
CID 90025073
3-(6-butoxynaphthalen-2-yl)-5-[(2S)-hexan-2-yl]-1,2,4-oxadiazole
CID 145378566
N-hexyl-4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 45034189
1-undecan-2-yl-9H-carbazole
CID 173176720

Frequently Asked Questions

What is the IUPAC name of 5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole (CID 137255750) is 5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole is CCCCCC(C)c1nc(-c2c[nH]c3ccccc23)no1.
What is the InChIKey of 5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole?
The InChIKey is IHQREBOLELLDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-4-5-8-12(2)17-19-16(20-21-17)14-11-18-15-10-7-6-9-13(14)15/h6-7,9-12,18H,3-5,8H2,1-2H3.
What are the key properties of 5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole?
5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole has a molecular weight of 283.38 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 137255750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).