(4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one

C21H23NO3 — CID 67530990

IUPAC(4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@]1(c2ccc3cc(OC4C[C@@H]5CC[C@H]4C5)ccc3c2)COC(=O)N1
InChIInChI=1S/C21H23NO3/c1-21(12-24-20(23)22-21)17-6-4-15-11-18(7-5-14(15)10-17)25-19-9-13-2-3-16(19)8-13/h4-7,10-11,13,16,19H,2-3,8-9,12H2,1H3,(H,22,23)/t13-,16+,19?,21+/m1/s1
InChIKeyZQJSKKCTBMUKHY-BTWRULSLSA-N
MW337.42 g/mol
LogP4.36
Rot. Bonds3

About (4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one

(4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 67530990) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID67530990
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@]1(c2ccc3cc(OC4C[C@@H]5CC[C@H]4C5)ccc3c2)COC(=O)N1
InChIInChI=1S/C21H23NO3/c1-21(12-24-20(23)22-21)17-6-4-15-11-18(7-5-14(15)10-17)25-19-9-13-2-3-16(19)8-13/h4-7,10-11,13,16,19H,2-3,8-9,12H2,1H3,(H,22,23)/t13-,16+,19?,21+/m1/s1
InChIKeyZQJSKKCTBMUKHY-BTWRULSLSA-N
XLogP4.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one (CID 67530990) is (4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one is C[C@@]1(c2ccc3cc(OC4C[C@@H]5CC[C@H]4C5)ccc3c2)COC(=O)N1.
What is the InChIKey of (4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is ZQJSKKCTBMUKHY-BTWRULSLSA-N. The full InChI is InChI=1S/C21H23NO3/c1-21(12-24-20(23)22-21)17-6-4-15-11-18(7-5-14(15)10-17)25-19-9-13-2-3-16(19)8-13/h4-7,10-11,13,16,19H,2-3,8-9,12H2,1H3,(H,22,23)/t13-,16+,19?,21+/m1/s1.
What are the key properties of (4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 337.42 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67530990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).