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

C16H14N2O3 — CID 56689852

IUPAC4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one
SMILESCOc1ccc(N2CC(=O)ON=C2c2ccccc2)cc1
InChIInChI=1S/C16H14N2O3/c1-20-14-9-7-13(8-10-14)18-11-15(19)21-17-16(18)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyLBSULDINUBEQHQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.42
Rot. Bonds3

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

4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one (PubChem CID 56689852) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one
PubChem CID56689852
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one
SMILESCOc1ccc(N2CC(=O)ON=C2c2ccccc2)cc1
InChIInChI=1S/C16H14N2O3/c1-20-14-9-7-13(8-10-14)18-11-15(19)21-17-16(18)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyLBSULDINUBEQHQ-UHFFFAOYSA-N
XLogP2.42
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one?
The IUPAC name of 4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one (CID 56689852) is 4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one is COc1ccc(N2CC(=O)ON=C2c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one?
The InChIKey is LBSULDINUBEQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-14-9-7-13(8-10-14)18-11-15(19)21-17-16(18)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one?
4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one has a molecular weight of 282.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one is sourced from PubChem (CID 56689852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).