2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone

C15H16N2O3 — CID 65334732

IUPAC2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
SMILESO=C(Cc1nc(C2CCOCC2)no1)c1ccccc1
InChIInChI=1S/C15H16N2O3/c18-13(11-4-2-1-3-5-11)10-14-16-15(17-20-14)12-6-8-19-9-7-12/h1-5,12H,6-10H2
InChIKeyIWBLBRMDPDLPAV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.39
Rot. Bonds4

About 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone

2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone (PubChem CID 65334732) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
PubChem CID65334732
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
SMILESO=C(Cc1nc(C2CCOCC2)no1)c1ccccc1
InChIInChI=1S/C15H16N2O3/c18-13(11-4-2-1-3-5-11)10-14-16-15(17-20-14)12-6-8-19-9-7-12/h1-5,12H,6-10H2
InChIKeyIWBLBRMDPDLPAV-UHFFFAOYSA-N
XLogP2.39
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone?
The IUPAC name of 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone (CID 65334732) is 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone.
What is the SMILES notation for 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone?
The canonical SMILES for 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone is O=C(Cc1nc(C2CCOCC2)no1)c1ccccc1.
What is the InChIKey of 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone?
The InChIKey is IWBLBRMDPDLPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-13(11-4-2-1-3-5-11)10-14-16-15(17-20-14)12-6-8-19-9-7-12/h1-5,12H,6-10H2.
What are the key properties of 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone?
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone has a molecular weight of 272.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone is sourced from PubChem (CID 65334732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).