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

C18H19NO2 — CID 171186947

IUPAC(4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-18(2)12-21-17(20)19-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyBTMMFFXYDJDGQW-INIZCTEOSA-N
MW281.36 g/mol
LogP4.16
Rot. Bonds2

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

(4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one (PubChem CID 171186947) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one
PubChem CID171186947
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-18(2)12-21-17(20)19-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyBTMMFFXYDJDGQW-INIZCTEOSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-5,5-dimethyl-4-(3-phenylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187376
(4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187856
(4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171187804
(4S)-4-(3,4-dichlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186417
N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride
CID 171188220
(4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188209
(4R)-5,5-dimethyl-4-(2-methylphenyl)-1,3-oxazinan-2-one
CID 171188493
(4R)-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188446
(4S)-4-(3,4-dibromophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187418
(4R)-5,5-dimethyl-4-(3-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171188502
(4S)-4-(3-hydroxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186127
(4R)-4-(2-bromophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186085

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one (CID 171186947) is (4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one is CC1(C)COC(=O)N[C@H]1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one?
The InChIKey is BTMMFFXYDJDGQW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2)12-21-17(20)19-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one?
(4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one has a molecular weight of 281.36 g/mol, XLogP of 4.16, 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-(4-phenylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 171186947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).