(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one

C15H15NO3 — CID 171185502

IUPAC(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
SMILESCOc1ccc2cc([C@@H]3CCOC(=O)N3)ccc2c1
InChIInChI=1S/C15H15NO3/c1-18-13-5-4-10-8-12(3-2-11(10)9-13)14-6-7-19-15(17)16-14/h2-5,8-9,14H,6-7H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyYZKISWPYACCRBK-AWEZNQCLSA-N
MW257.29 g/mol
LogP3.02
Rot. Bonds2

About (4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one

(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one (PubChem CID 171185502) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
PubChem CID171185502
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
SMILESCOc1ccc2cc([C@@H]3CCOC(=O)N3)ccc2c1
InChIInChI=1S/C15H15NO3/c1-18-13-5-4-10-8-12(3-2-11(10)9-13)14-6-7-19-15(17)16-14/h2-5,8-9,14H,6-7H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyYZKISWPYACCRBK-AWEZNQCLSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185570
(4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185050
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184949
(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185245
(4R)-4-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185268
(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
CID 171196650
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906
(4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185191
(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
CID 171185070
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazinan-2-one
CID 131626496

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one?
The IUPAC name of (4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one (CID 171185502) is (4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one?
The canonical SMILES for (4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one is COc1ccc2cc([C@@H]3CCOC(=O)N3)ccc2c1.
What is the InChIKey of (4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one?
The InChIKey is YZKISWPYACCRBK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-13-5-4-10-8-12(3-2-11(10)9-13)14-6-7-19-15(17)16-14/h2-5,8-9,14H,6-7H2,1H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one?
(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one has a molecular weight of 257.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one is sourced from PubChem (CID 171185502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).