(2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone

C17H19NO3 — CID 68874749

IUPAC(2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc2ccccc2c1C(=O)N1CCOC1(C)C
InChIInChI=1S/C17H19NO3/c1-17(2)18(10-11-21-17)16(19)15-13-7-5-4-6-12(13)8-9-14(15)20-3/h4-9H,10-11H2,1-3H3
InChIKeyVQLXBLDXXJOJMZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.06
Rot. Bonds2

About (2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone

(2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone (PubChem CID 68874749) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone
PubChem CID68874749
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc2ccccc2c1C(=O)N1CCOC1(C)C
InChIInChI=1S/C17H19NO3/c1-17(2)18(10-11-21-17)16(19)15-13-7-5-4-6-12(13)8-9-14(15)20-3/h4-9H,10-11H2,1-3H3
InChIKeyVQLXBLDXXJOJMZ-UHFFFAOYSA-N
XLogP3.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone?
The IUPAC name of (2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone (CID 68874749) is (2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone.
What is the SMILES notation for (2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone?
The canonical SMILES for (2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone is COc1ccc2ccccc2c1C(=O)N1CCOC1(C)C.
What is the InChIKey of (2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone?
The InChIKey is VQLXBLDXXJOJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2)18(10-11-21-17)16(19)15-13-7-5-4-6-12(13)8-9-14(15)20-3/h4-9H,10-11H2,1-3H3.
What are the key properties of (2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone?
(2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone has a molecular weight of 285.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 68874749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).