5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

C15H16N2O3 — CID 137462974

IUPAC5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCc1cc(C2=NNC(=O)OC2)ccc1C1=CCOCC1
InChIInChI=1S/C15H16N2O3/c1-10-8-12(14-9-20-15(18)17-16-14)2-3-13(10)11-4-6-19-7-5-11/h2-4,8H,5-7,9H2,1H3,(H,17,18)
InChIKeyFGQWFNHAMCLANG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.24
Rot. Bonds2

About 5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462974) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462974
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCc1cc(C2=NNC(=O)OC2)ccc1C1=CCOCC1
InChIInChI=1S/C15H16N2O3/c1-10-8-12(14-9-20-15(18)17-16-14)2-3-13(10)11-4-6-19-7-5-11/h2-4,8H,5-7,9H2,1H3,(H,17,18)
InChIKeyFGQWFNHAMCLANG-UHFFFAOYSA-N
XLogP2.24
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462974) is 5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is Cc1cc(C2=NNC(=O)OC2)ccc1C1=CCOCC1.
What is the InChIKey of 5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is FGQWFNHAMCLANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-8-12(14-9-20-15(18)17-16-14)2-3-13(10)11-4-6-19-7-5-11/h2-4,8H,5-7,9H2,1H3,(H,17,18).
What are the key properties of 5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 272.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).