5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one

C10H10N2O3 — CID 86165594

IUPAC5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCC1OC(=O)NN=C1c1cccc(O)c1
InChIInChI=1S/C10H10N2O3/c1-6-9(11-12-10(14)15-6)7-3-2-4-8(13)5-7/h2-6,13H,1H3,(H,12,14)
InChIKeyCZOIOMXOJMOUSS-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.22
Rot. Bonds1

About 5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one

5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 86165594) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID86165594
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCC1OC(=O)NN=C1c1cccc(O)c1
InChIInChI=1S/C10H10N2O3/c1-6-9(11-12-10(14)15-6)7-3-2-4-8(13)5-7/h2-6,13H,1H3,(H,12,14)
InChIKeyCZOIOMXOJMOUSS-UHFFFAOYSA-N
XLogP1.22
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 86165594) is 5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one is CC1OC(=O)NN=C1c1cccc(O)c1.
What is the InChIKey of 5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is CZOIOMXOJMOUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-9(11-12-10(14)15-6)7-3-2-4-8(13)5-7/h2-6,13H,1H3,(H,12,14).
What are the key properties of 5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 206.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 86165594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).