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

C15H16N2O3 — CID 106474123

IUPAC3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESOC1CCOCC1c1nc(C2Cc3ccccc32)no1
InChIInChI=1S/C15H16N2O3/c18-13-5-6-19-8-12(13)15-16-14(17-20-15)11-7-9-3-1-2-4-10(9)11/h1-4,11-13,18H,5-8H2
InChIKeyKFBJEXVAPBDFJQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.62
Rot. Bonds2

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

3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (PubChem CID 106474123) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
PubChem CID106474123
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESOC1CCOCC1c1nc(C2Cc3ccccc32)no1
InChIInChI=1S/C15H16N2O3/c18-13-5-6-19-8-12(13)15-16-14(17-20-15)11-7-9-3-1-2-4-10(9)11/h1-4,11-13,18H,5-8H2
InChIKeyKFBJEXVAPBDFJQ-UHFFFAOYSA-N
XLogP1.62
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol with MolForge

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Related Compounds

3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474143
3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474204
2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 64985486
2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 64982138
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473911
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070934
3-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474192
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
CID 106474029
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474164
3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 64986127
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706701
3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474109

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The IUPAC name of 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (CID 106474123) is 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.
What is the SMILES notation for 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The canonical SMILES for 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is OC1CCOCC1c1nc(C2Cc3ccccc32)no1.
What is the InChIKey of 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The InChIKey is KFBJEXVAPBDFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-13-5-6-19-8-12(13)15-16-14(17-20-15)11-7-9-3-1-2-4-10(9)11/h1-4,11-13,18H,5-8H2.
What are the key properties of 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol has a molecular weight of 272.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is sourced from PubChem (CID 106474123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).