ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate

C14H11N3O3 — CID 115960787

IUPACethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccnc3ccccc23)o1
InChIInChI=1S/C14H11N3O3/c1-2-19-14(18)13-17-16-12(20-13)10-7-8-15-11-6-4-3-5-9(10)11/h3-8H,2H2,1H3
InChIKeyBWMUTTQLSPZFGJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.46
Rot. Bonds3

About ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate

ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 115960787) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate
PubChem CID115960787
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Nameethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccnc3ccccc23)o1
InChIInChI=1S/C14H11N3O3/c1-2-19-14(18)13-17-16-12(20-13)10-7-8-15-11-6-4-3-5-9(10)11/h3-8H,2H2,1H3
InChIKeyBWMUTTQLSPZFGJ-UHFFFAOYSA-N
XLogP2.46
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115586995
2,5-di(quinolin-4-yl)-1,3,4-oxadiazole
CID 143438590
ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960764
ethyl 5-(2-nitrophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619292
ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 177312454
ethyl 5-(2-methoxy-5-methylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619183
ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410
ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619393
4-methyl-3-quinolin-4-ylbenzamide
CID 166389470
ethyl 5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619253
ethyl 5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685436

Frequently Asked Questions

What is the IUPAC name of ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate (CID 115960787) is ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2ccnc3ccccc23)o1.
What is the InChIKey of ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is BWMUTTQLSPZFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-2-19-14(18)13-17-16-12(20-13)10-7-8-15-11-6-4-3-5-9(10)11/h3-8H,2H2,1H3.
What are the key properties of ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 115960787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).