ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate

C15H16N2O3 — CID 107127602

IUPACethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CCc3ccccc3C2)n1
InChIInChI=1S/C15H16N2O3/c1-2-19-15(18)13-16-14(20-17-13)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3
InChIKeyAQSGQDYGFNDCFH-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.52
Rot. Bonds3

About ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate

ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 107127602) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID107127602
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CCc3ccccc3C2)n1
InChIInChI=1S/C15H16N2O3/c1-2-19-15(18)13-16-14(20-17-13)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3
InChIKeyAQSGQDYGFNDCFH-UHFFFAOYSA-N
XLogP2.52
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate (CID 107127602) is ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C2CCc3ccccc3C2)n1.
What is the InChIKey of ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is AQSGQDYGFNDCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-19-15(18)13-16-14(20-17-13)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3.
What are the key properties of ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 107127602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).