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

C13H18ClNO3 — CID 171185268

IUPAC(4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCC(C)Oc1ccc([C@H]2CCOC(=O)N2)cc1.Cl
InChIInChI=1S/C13H17NO3.ClH/c1-9(2)17-11-5-3-10(4-6-11)12-7-8-16-13(15)14-12;/h3-6,9,12H,7-8H2,1-2H3,(H,14,15);1H/t12-;/m1./s1
InChIKeySUUYMSQRXWAMEN-UTONKHPSSA-N
MW271.74 g/mol
LogP3.07
Rot. Bonds3

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

(4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185268) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is (4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185268
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name(4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCC(C)Oc1ccc([C@H]2CCOC(=O)N2)cc1.Cl
InChIInChI=1S/C13H17NO3.ClH/c1-9(2)17-11-5-3-10(4-6-11)12-7-8-16-13(15)14-12;/h3-6,9,12H,7-8H2,1-2H3,(H,14,15);1H/t12-;/m1./s1
InChIKeySUUYMSQRXWAMEN-UTONKHPSSA-N
XLogP3.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185191
5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 15817594
(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185570
(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
CID 171185502
(4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185050
(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185245
(4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171184918
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906
(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
CID 171185070
(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184997
5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693390

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171185268) is (4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride is CC(C)Oc1ccc([C@H]2CCOC(=O)N2)cc1.Cl.
What is the InChIKey of (4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is SUUYMSQRXWAMEN-UTONKHPSSA-N. The full InChI is InChI=1S/C13H17NO3.ClH/c1-9(2)17-11-5-3-10(4-6-11)12-7-8-16-13(15)14-12;/h3-6,9,12H,7-8H2,1-2H3,(H,14,15);1H/t12-;/m1./s1.
What are the key properties of (4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 271.74 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).