3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one

C17H18NO4- — CID 88508919

IUPAC3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one
SMILESCOCC(C(=O)[C@@H]1OCCN1[O-])c1cccc2ccccc12
InChIInChI=1S/C17H18NO4/c1-21-11-15(16(19)17-18(20)9-10-22-17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15,17H,9-11H2,1H3/q-1/t15?,17-/m0/s1
InChIKeyMUYLQNKIBQICGL-LWKPJOBUSA-N
MW300.33 g/mol
LogP2.30
Rot. Bonds5

About 3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one

3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one (PubChem CID 88508919) has the molecular formula C17H18NO4- and a molecular weight of 300.33 g/mol. Its IUPAC name is 3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one
PubChem CID88508919
Molecular FormulaC17H18NO4-
Molecular Weight300.33 g/mol
Exact Mass300.12
IUPAC Name3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one
SMILESCOCC(C(=O)[C@@H]1OCCN1[O-])c1cccc2ccccc12
InChIInChI=1S/C17H18NO4/c1-21-11-15(16(19)17-18(20)9-10-22-17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15,17H,9-11H2,1H3/q-1/t15?,17-/m0/s1
InChIKeyMUYLQNKIBQICGL-LWKPJOBUSA-N
XLogP2.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid
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(3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride
CID 22888
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide
CID 121458579
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
2-naphthalen-1-ylpentanoate
CID 154825316
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
2-naphthalen-1-yldodecanoic acid
CID 23333439
3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid
CID 112720942

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one?
The IUPAC name of 3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one (CID 88508919) is 3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one?
The canonical SMILES for 3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one is COCC(C(=O)[C@@H]1OCCN1[O-])c1cccc2ccccc12.
What is the InChIKey of 3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one?
The InChIKey is MUYLQNKIBQICGL-LWKPJOBUSA-N. The full InChI is InChI=1S/C17H18NO4/c1-21-11-15(16(19)17-18(20)9-10-22-17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15,17H,9-11H2,1H3/q-1/t15?,17-/m0/s1.
What are the key properties of 3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one?
3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one has a molecular weight of 300.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one is sourced from PubChem (CID 88508919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).