ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate

C11H10N2O3 — CID 4295554

IUPACethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2ccccc2)n1
InChIInChI=1S/C11H10N2O3/c1-2-15-11(14)9-12-10(16-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyHPUMZVCZZDZNTC-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.91
Rot. Bonds3

About ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate

ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate (PubChem CID 4295554) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate
PubChem CID4295554
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Nameethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2ccccc2)n1
InChIInChI=1S/C11H10N2O3/c1-2-15-11(14)9-12-10(16-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyHPUMZVCZZDZNTC-UHFFFAOYSA-N
XLogP1.91
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
3-Cyclohexyl-5-phenyl-1,2,4-oxadiazole
CID 876263
AC3056
CID 53429625
5-(2-Fluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 2876651
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501
(5-Phenyl-1,2,4-oxadiazol-3-yl)methanol
CID 2726650
3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 24206741
5-(2-Fluorophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 892221
Methyl 5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 1484191
methyl 4-[5-({methyl[2-(tetrahydro-2H-pyran-2-yl)ethyl]amino}methyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 16188703

Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate (CID 4295554) is ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(-c2ccccc2)n1.
What is the InChIKey of ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is HPUMZVCZZDZNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-15-11(14)9-12-10(16-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 4295554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).