2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine

C14H15N3O2 — CID 64982138

IUPAC2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESc1ccc2c(c1)CC2c1noc(C2CNCCO2)n1
InChIInChI=1S/C14H15N3O2/c1-2-4-10-9(3-1)7-11(10)13-16-14(19-17-13)12-8-15-5-6-18-12/h1-4,11-12,15H,5-8H2
InChIKeyLSCMNKSMEVYLBL-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.42
Rot. Bonds2

About 2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine

2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 64982138) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID64982138
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESc1ccc2c(c1)CC2c1noc(C2CNCCO2)n1
InChIInChI=1S/C14H15N3O2/c1-2-4-10-9(3-1)7-11(10)13-16-14(19-17-13)12-8-15-5-6-18-12/h1-4,11-12,15H,5-8H2
InChIKeyLSCMNKSMEVYLBL-UHFFFAOYSA-N
XLogP1.42
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 64982138) is 2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine is c1ccc2c(c1)CC2c1noc(C2CNCCO2)n1.
What is the InChIKey of 2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is LSCMNKSMEVYLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-4-10-9(3-1)7-11(10)13-16-14(19-17-13)12-8-15-5-6-18-12/h1-4,11-12,15H,5-8H2.
What are the key properties of 2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine?
2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 257.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 64982138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).