3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one

C17H16ClNO2 — CID 25183313

IUPAC3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C17H16ClNO2/c1-17(13-6-3-2-4-7-13)10-11-19(16(20)21-17)15-9-5-8-14(18)12-15/h2-9,12H,10-11H2,1H3
InChIKeyDBQPIDKKFFBXHS-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.60
Rot. Bonds2

About 3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one

3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one (PubChem CID 25183313) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
PubChem CID25183313
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C17H16ClNO2/c1-17(13-6-3-2-4-7-13)10-11-19(16(20)21-17)15-9-5-8-14(18)12-15/h2-9,12H,10-11H2,1H3
InChIKeyDBQPIDKKFFBXHS-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one (CID 25183313) is 3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one is CC1(c2ccccc2)CCN(c2cccc(Cl)c2)C(=O)O1.
What is the InChIKey of 3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is DBQPIDKKFFBXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-17(13-6-3-2-4-7-13)10-11-19(16(20)21-17)15-9-5-8-14(18)12-15/h2-9,12H,10-11H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one?
3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 301.77 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 25183313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).