(6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one

C10H10N2O2 — CID 71425586

IUPAC(6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one
SMILESCC1=NNC(=O)[C@H](c2ccccc2)O1
InChIInChI=1S/C10H10N2O2/c1-7-11-12-10(13)9(14-7)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1
InChIKeyFANKADAYLYXVMN-VIFPVBQESA-N
MW190.20 g/mol
LogP1.21
Rot. Bonds1

About (6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one

(6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one (PubChem CID 71425586) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one.

Molecular Properties

Compound Name(6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one
PubChem CID71425586
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one
SMILESCC1=NNC(=O)[C@H](c2ccccc2)O1
InChIInChI=1S/C10H10N2O2/c1-7-11-12-10(13)9(14-7)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1
InChIKeyFANKADAYLYXVMN-VIFPVBQESA-N
XLogP1.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one?
The IUPAC name of (6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one (CID 71425586) is (6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one.
What is the SMILES notation for (6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one?
The canonical SMILES for (6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one is CC1=NNC(=O)[C@H](c2ccccc2)O1.
What is the InChIKey of (6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one?
The InChIKey is FANKADAYLYXVMN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-11-12-10(13)9(14-7)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one?
(6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one has a molecular weight of 190.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one is sourced from PubChem (CID 71425586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).