3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole

C13H13N3O — CID 113382393

IUPAC3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1nc(C3CC3)no1)NCC2
InChIInChI=1S/C13H13N3O/c1-4-10(7-11-8(1)5-6-14-11)13-15-12(16-17-13)9-2-3-9/h1,4,7,9,14H,2-3,5-6H2
InChIKeyGPBCIMAGWXVHGK-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.58
Rot. Bonds2

About 3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole

3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole (PubChem CID 113382393) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole
PubChem CID113382393
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1nc(C3CC3)no1)NCC2
InChIInChI=1S/C13H13N3O/c1-4-10(7-11-8(1)5-6-14-11)13-15-12(16-17-13)9-2-3-9/h1,4,7,9,14H,2-3,5-6H2
InChIKeyGPBCIMAGWXVHGK-UHFFFAOYSA-N
XLogP2.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330487
5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 113382399
5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790172
3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
CID 103999480
5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole
CID 65353424
5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 53353035
5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 43622149
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 139035121
5-(4-phenylphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 59657751
5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 43325507
3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole
CID 43325515
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732351

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole (CID 113382393) is 3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole is c1cc2c(cc1-c1nc(C3CC3)no1)NCC2.
What is the InChIKey of 3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole?
The InChIKey is GPBCIMAGWXVHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-4-10(7-11-8(1)5-6-14-11)13-15-12(16-17-13)9-2-3-9/h1,4,7,9,14H,2-3,5-6H2.
What are the key properties of 3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole has a molecular weight of 227.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 113382393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).