ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate

C16H17N3O3 — CID 170838371

IUPACethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(C(CC)n2ccc3ccccc32)o1
InChIInChI=1S/C16H17N3O3/c1-3-12(14-17-18-15(22-14)16(20)21-4-2)19-10-9-11-7-5-6-8-13(11)19/h5-10,12H,3-4H2,1-2H3
InChIKeyZHHXUIKJVQSAFS-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.20
Rot. Bonds5

About ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate

ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 170838371) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID170838371
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Nameethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(C(CC)n2ccc3ccccc32)o1
InChIInChI=1S/C16H17N3O3/c1-3-12(14-17-18-15(22-14)16(20)21-4-2)19-10-9-11-7-5-6-8-13(11)19/h5-10,12H,3-4H2,1-2H3
InChIKeyZHHXUIKJVQSAFS-UHFFFAOYSA-N
XLogP3.20
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-indol-1-ylethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 170838346
ethyl 5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazole-2-carboxylate
CID 115960780
1-[1-(4-methylphenyl)propyl]indole
CID 141127002
ethyl 5-(benzimidazol-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylate
CID 170838347
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
1-[(2S)-butan-2-yl]indole
CID 124507288
ethyl 2-indol-1-yloxyacetate
CID 19786741
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
CID 116984154
ethyl 5-(1-phenylethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate
CID 116700189
N-butan-2-yl-2-indol-1-ylpropanamide
CID 113233604
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate (CID 170838371) is ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(C(CC)n2ccc3ccccc32)o1.
What is the InChIKey of ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is ZHHXUIKJVQSAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-3-12(14-17-18-15(22-14)16(20)21-4-2)19-10-9-11-7-5-6-8-13(11)19/h5-10,12H,3-4H2,1-2H3.
What are the key properties of ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-indol-1-ylpropyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 170838371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).