2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol

C15H18N2O3 — CID 63345481

IUPAC2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
SMILESOC(Cc1nc(CC2CCCO2)no1)c1ccccc1
InChIInChI=1S/C15H18N2O3/c18-13(11-5-2-1-3-6-11)10-15-16-14(17-20-15)9-12-7-4-8-19-12/h1-3,5-6,12-13,18H,4,7-10H2
InChIKeyVUHHWNYHNKYIPN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.07
Rot. Bonds5

About 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol

2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol (PubChem CID 63345481) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
PubChem CID63345481
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
SMILESOC(Cc1nc(CC2CCCO2)no1)c1ccccc1
InChIInChI=1S/C15H18N2O3/c18-13(11-5-2-1-3-6-11)10-15-16-14(17-20-15)9-12-7-4-8-19-12/h1-3,5-6,12-13,18H,4,7-10H2
InChIKeyVUHHWNYHNKYIPN-UHFFFAOYSA-N
XLogP2.07
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The IUPAC name of 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol (CID 63345481) is 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol.
What is the SMILES notation for 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The canonical SMILES for 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol is OC(Cc1nc(CC2CCCO2)no1)c1ccccc1.
What is the InChIKey of 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The InChIKey is VUHHWNYHNKYIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13(11-5-2-1-3-6-11)10-15-16-14(17-20-15)9-12-7-4-8-19-12/h1-3,5-6,12-13,18H,4,7-10H2.
What are the key properties of 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol has a molecular weight of 274.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol is sourced from PubChem (CID 63345481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).