(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride

C14H14ClNO2 — CID 171185570

IUPAC(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2ccc3ccccc3c2)CCO1
InChIInChI=1S/C14H13NO2.ClH/c16-14-15-13(7-8-17-14)12-6-5-10-3-1-2-4-11(10)9-12;/h1-6,9,13H,7-8H2,(H,15,16);1H/t13-;/m0./s1
InChIKeyVMOWFBJNJZNZLH-ZOWNYOTGSA-N
MW263.72 g/mol
LogP3.43
Rot. Bonds1

About (4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride

(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185570) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is (4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185570
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2ccc3ccccc3c2)CCO1
InChIInChI=1S/C14H13NO2.ClH/c16-14-15-13(7-8-17-14)12-6-5-10-3-1-2-4-11(10)9-12;/h1-6,9,13H,7-8H2,(H,15,16);1H/t13-;/m0./s1
InChIKeyVMOWFBJNJZNZLH-ZOWNYOTGSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185191
(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
CID 171185502
(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185449
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906
3-naphthalen-2-yl-1,2-oxazolidine
CID 164533749
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
(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-(3-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131593675
(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
CID 171185070
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazinan-2-one
CID 131626496
(4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171187804

Frequently Asked Questions

What is the IUPAC name of (4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride (CID 171185570) is (4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@H](c2ccc3ccccc3c2)CCO1.
What is the InChIKey of (4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is VMOWFBJNJZNZLH-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H13NO2.ClH/c16-14-15-13(7-8-17-14)12-6-5-10-3-1-2-4-11(10)9-12;/h1-6,9,13H,7-8H2,(H,15,16);1H/t13-;/m0./s1.
What are the key properties of (4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride?
(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 263.72 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).