(4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride

C18H20ClNO2 — CID 171187376

IUPAC(4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCC1(C)COC(=O)N[C@H]1c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-18(2)12-21-17(20)19-16(18)15-10-6-9-14(11-15)13-7-4-3-5-8-13;/h3-11,16H,12H2,1-2H3,(H,19,20);1H/t16-;/m0./s1
InChIKeyHRQTXALYTRPUJV-NTISSMGPSA-N
MW317.82 g/mol
LogP4.58
Rot. Bonds2

About (4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride

(4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171187376) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171187376
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCC1(C)COC(=O)N[C@H]1c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-18(2)12-21-17(20)19-16(18)15-10-6-9-14(11-15)13-7-4-3-5-8-13;/h3-11,16H,12H2,1-2H3,(H,19,20);1H/t16-;/m0./s1
InChIKeyHRQTXALYTRPUJV-NTISSMGPSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171187376) is (4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride is CC1(C)COC(=O)N[C@H]1c1cccc(-c2ccccc2)c1.Cl.
What is the InChIKey of (4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is HRQTXALYTRPUJV-NTISSMGPSA-N. The full InChI is InChI=1S/C18H19NO2.ClH/c1-18(2)12-21-17(20)19-16(18)15-10-6-9-14(11-15)13-7-4-3-5-8-13;/h3-11,16H,12H2,1-2H3,(H,19,20);1H/t16-;/m0./s1.
What are the key properties of (4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171187376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).