(4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride

C16H16ClNO3 — CID 171185191

IUPAC(4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(Oc3ccccc3)cc2)CCO1
InChIInChI=1S/C16H15NO3.ClH/c18-16-17-15(10-11-19-16)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13;/h1-9,15H,10-11H2,(H,17,18);1H/t15-;/m1./s1
InChIKeyLNAJQEOOZKZNRS-XFULWGLBSA-N
MW305.76 g/mol
LogP4.07
Rot. Bonds3

About (4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride

(4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185191) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185191
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(Oc3ccccc3)cc2)CCO1
InChIInChI=1S/C16H15NO3.ClH/c18-16-17-15(10-11-19-16)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13;/h1-9,15H,10-11H2,(H,17,18);1H/t15-;/m1./s1
InChIKeyLNAJQEOOZKZNRS-XFULWGLBSA-N
XLogP4.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(4-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 171184568
(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185570
(4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185268
(4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171184918
(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
CID 171185502
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185449
1-methyl-4-(4-phenoxyphenyl)imidazolidin-2-one
CID 116980839
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906
(4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185050
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171185191) is (4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@@H](c2ccc(Oc3ccccc3)cc2)CCO1.
What is the InChIKey of (4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is LNAJQEOOZKZNRS-XFULWGLBSA-N. The full InChI is InChI=1S/C16H15NO3.ClH/c18-16-17-15(10-11-19-16)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13;/h1-9,15H,10-11H2,(H,17,18);1H/t15-;/m1./s1.
What are the key properties of (4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 305.76 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).