(5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one

C22H21NO4 — CID 67796605

IUPAC(5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one
SMILESCOC[C@@H]1OCN(c2ccc3cc(OCc4ccccc4)ccc3c2)C1=O
InChIInChI=1S/C22H21NO4/c1-25-14-21-22(24)23(15-27-21)19-9-7-18-12-20(10-8-17(18)11-19)26-13-16-5-3-2-4-6-16/h2-12,21H,13-15H2,1H3/t21-/m0/s1
InChIKeyQYFUSGJHQZCVFU-NRFANRHFSA-N
MW363.41 g/mol
LogP3.75
Rot. Bonds6

About (5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one

(5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one (PubChem CID 67796605) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is (5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one
PubChem CID67796605
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name(5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one
SMILESCOC[C@@H]1OCN(c2ccc3cc(OCc4ccccc4)ccc3c2)C1=O
InChIInChI=1S/C22H21NO4/c1-25-14-21-22(24)23(15-27-21)19-9-7-18-12-20(10-8-17(18)11-19)26-13-16-5-3-2-4-6-16/h2-12,21H,13-15H2,1H3/t21-/m0/s1
InChIKeyQYFUSGJHQZCVFU-NRFANRHFSA-N
XLogP3.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(phenoxymethyl)-3-phenyl-1,3-oxazolidin-4-one
CID 70619081
6-phenylmethoxychromen-2-one
CID 59816113
(3S,3aR)-3-(methoxymethyl)-7-phenylmethoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
CID 22874123
tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate
CID 58290450
(1S,2S,6R,7R)-4-(4-phenylmethoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11870124
6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one
CID 141321137
(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 135389134
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-bromo-6-phenylmethoxynaphthalene
CID 640595
4-(4-phenylmethoxyphenyl)morpholine-3,5-dione
CID 23821636

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one?
The IUPAC name of (5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one (CID 67796605) is (5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one.
What is the SMILES notation for (5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one?
The canonical SMILES for (5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one is COC[C@@H]1OCN(c2ccc3cc(OCc4ccccc4)ccc3c2)C1=O.
What is the InChIKey of (5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one?
The InChIKey is QYFUSGJHQZCVFU-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21NO4/c1-25-14-21-22(24)23(15-27-21)19-9-7-18-12-20(10-8-17(18)11-19)26-13-16-5-3-2-4-6-16/h2-12,21H,13-15H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one?
(5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one has a molecular weight of 363.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethyl)-3-(6-phenylmethoxynaphthalen-2-yl)-1,3-oxazolidin-4-one is sourced from PubChem (CID 67796605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).