2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole

C13H13N3O — CID 40693672

IUPAC2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole
SMILESCCn1c(-c2nnc(C)o2)cc2ccccc21
InChIInChI=1S/C13H13N3O/c1-3-16-11-7-5-4-6-10(11)8-12(16)13-15-14-9(2)17-13/h4-8H,3H2,1-2H3
InChIKeyKXQPGLPIZSYGJK-UHFFFAOYSA-N
MW227.27 g/mol
LogP3.02
Rot. Bonds2

About 2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole

2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 40693672) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID40693672
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole
SMILESCCn1c(-c2nnc(C)o2)cc2ccccc21
InChIInChI=1S/C13H13N3O/c1-3-16-11-7-5-4-6-10(11)8-12(16)13-15-14-9(2)17-13/h4-8H,3H2,1-2H3
InChIKeyKXQPGLPIZSYGJK-UHFFFAOYSA-N
XLogP3.02
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
CID 18569305
2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole
CID 18569336
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propan-2-ylacetamide
CID 18569319
4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide
CID 18569301
3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione
CID 40693738
2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole
CID 40693763
1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one
CID 40693905
N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine
CID 40693933
2-(2-bromophenyl)-1-ethylindole
CID 141407041
1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one
CID 115576185
4-[2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethyl]morpholine
CID 29173424
2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole
CID 40693861

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole (CID 40693672) is 2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole is CCn1c(-c2nnc(C)o2)cc2ccccc21.
What is the InChIKey of 2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is KXQPGLPIZSYGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-3-16-11-7-5-4-6-10(11)8-12(16)13-15-14-9(2)17-13/h4-8H,3H2,1-2H3.
What are the key properties of 2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole?
2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 227.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 40693672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).