2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole

C16H17N3O3 — CID 40694284

IUPAC2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc2c(c1)cc(-c1nnco1)n2CCC1OCCCO1
InChIInChI=1S/C16H17N3O3/c1-2-5-13-12(4-1)10-14(16-18-17-11-22-16)19(13)7-6-15-20-8-3-9-21-15/h1-2,4-5,10-11,15H,3,6-9H2
InChIKeyIPDKNLQPFGSOLO-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.84
Rot. Bonds4

About 2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole

2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole (PubChem CID 40694284) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole
PubChem CID40694284
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc2c(c1)cc(-c1nnco1)n2CCC1OCCCO1
InChIInChI=1S/C16H17N3O3/c1-2-5-13-12(4-1)10-14(16-18-17-11-22-16)19(13)7-6-15-20-8-3-9-21-15/h1-2,4-5,10-11,15H,3,6-9H2
InChIKeyIPDKNLQPFGSOLO-UHFFFAOYSA-N
XLogP2.84
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-(1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)-N-cyclopentylacetamide
CID 16836172
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18569282
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18569283
2-(1,3,4-oxadiazol-2-yl)-1H-indole
CID 135912928
2-(2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)acetamide
CID 16820282
2-(2-(1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)-1-morpholinoethanone
CID 16836127
[2-(1,3,4-Oxadiazol-2-yl)-1-indolyl]acetamide
CID 16836134
2-(2-(1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 16836179
2-(2-(1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)-N-methylacetamide
CID 16836198
N-tert-butyl[2-(1,3,4-oxadiazol-2-yl)-1-indolyl]acetamide
CID 16836201
2-[2-(5-Ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-morpholin-4-ylethanone
CID 16896703
ethyl 4-(2-(2-(5-isopropyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)acetyl)piperazine-1-carboxylate
CID 16896713

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole (CID 40694284) is 2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole is c1ccc2c(c1)cc(-c1nnco1)n2CCC1OCCCO1.
What is the InChIKey of 2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole?
The InChIKey is IPDKNLQPFGSOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-5-13-12(4-1)10-14(16-18-17-11-22-16)19(13)7-6-15-20-8-3-9-21-15/h1-2,4-5,10-11,15H,3,6-9H2.
What are the key properties of 2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole?
2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole has a molecular weight of 299.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1,3-dioxan-2-yl)ethyl]indol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 40694284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).