3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one

C17H17NO4 — CID 22845845

IUPAC3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2cc([C@H](C)C(=O)N3CCOC3=O)ccc2c1
InChIInChI=1S/C17H17NO4/c1-11(16(19)18-7-8-22-17(18)20)12-3-4-14-10-15(21-2)6-5-13(14)9-12/h3-6,9-11H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyOACROPGSIVPCNY-NSHDSACASA-N
MW299.33 g/mol
LogP2.93
Rot. Bonds3

About 3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one

3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 22845845) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID22845845
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2cc([C@H](C)C(=O)N3CCOC3=O)ccc2c1
InChIInChI=1S/C17H17NO4/c1-11(16(19)18-7-8-22-17(18)20)12-3-4-14-10-15(21-2)6-5-13(14)9-12/h3-6,9-11H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyOACROPGSIVPCNY-NSHDSACASA-N
XLogP2.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one (CID 22845845) is 3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one is COc1ccc2cc([C@H](C)C(=O)N3CCOC3=O)ccc2c1.
What is the InChIKey of 3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is OACROPGSIVPCNY-NSHDSACASA-N. The full InChI is InChI=1S/C17H17NO4/c1-11(16(19)18-7-8-22-17(18)20)12-3-4-14-10-15(21-2)6-5-13(14)9-12/h3-6,9-11H,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one?
3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 299.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22845845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).