3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine

C11H11ClN2O2 — CID 174888088

IUPAC3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine
SMILESCC1=CN(OCc2ccccc2)C(Cl)=NO1
InChIInChI=1S/C11H11ClN2O2/c1-9-7-14(11(12)13-16-9)15-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyLDGBGHSXAIIRQC-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.82
Rot. Bonds3

About 3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine

3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine (PubChem CID 174888088) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine.

Molecular Properties

Compound Name3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine
PubChem CID174888088
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine
SMILESCC1=CN(OCc2ccccc2)C(Cl)=NO1
InChIInChI=1S/C11H11ClN2O2/c1-9-7-14(11(12)13-16-9)15-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyLDGBGHSXAIIRQC-UHFFFAOYSA-N
XLogP2.82
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-1-phenylmethoxyimidazole
CID 10867903
4-chloro-1-phenylmethoxypyrazole
CID 91619331
(2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol
CID 10999557
[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
4-ethyl-1-phenylmethoxypyrazole
CID 119082094
6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one
CID 101450898
(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol
CID 10965992
1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium
CID 20806995
bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver
CID 20806997
phenylmethoxygallane
CID 173378988
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine?
The IUPAC name of 3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine (CID 174888088) is 3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine.
What is the SMILES notation for 3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine?
The canonical SMILES for 3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine is CC1=CN(OCc2ccccc2)C(Cl)=NO1.
What is the InChIKey of 3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine?
The InChIKey is LDGBGHSXAIIRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-9-7-14(11(12)13-16-9)15-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine?
3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine has a molecular weight of 238.67 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine is sourced from PubChem (CID 174888088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).