1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one

C24H25NO2 — CID 122699064

IUPAC1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one
SMILESO=C(CCCc1ccc2ccccc2c1)N1COC[C@H]1Cc1ccccc1
InChIInChI=1S/C24H25NO2/c26-24(25-18-27-17-23(25)16-19-7-2-1-3-8-19)12-6-9-20-13-14-21-10-4-5-11-22(21)15-20/h1-5,7-8,10-11,13-15,23H,6,9,12,16-18H2/t23-/m1/s1
InChIKeyNRERIOQVQAEUPC-HSZRJFAPSA-N
MW359.47 g/mol
LogP4.59
Rot. Bonds6

About 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one

1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one (PubChem CID 122699064) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one
PubChem CID122699064
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one
SMILESO=C(CCCc1ccc2ccccc2c1)N1COC[C@H]1Cc1ccccc1
InChIInChI=1S/C24H25NO2/c26-24(25-18-27-17-23(25)16-19-7-2-1-3-8-19)12-6-9-20-13-14-21-10-4-5-11-22(21)15-20/h1-5,7-8,10-11,13-15,23H,6,9,12,16-18H2/t23-/m1/s1
InChIKeyNRERIOQVQAEUPC-HSZRJFAPSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one?
The IUPAC name of 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one (CID 122699064) is 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one.
What is the SMILES notation for 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one?
The canonical SMILES for 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one is O=C(CCCc1ccc2ccccc2c1)N1COC[C@H]1Cc1ccccc1.
What is the InChIKey of 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one?
The InChIKey is NRERIOQVQAEUPC-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25NO2/c26-24(25-18-27-17-23(25)16-19-7-2-1-3-8-19)12-6-9-20-13-14-21-10-4-5-11-22(21)15-20/h1-5,7-8,10-11,13-15,23H,6,9,12,16-18H2/t23-/m1/s1.
What are the key properties of 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one?
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one has a molecular weight of 359.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4-naphthalen-2-ylbutan-1-one is sourced from PubChem (CID 122699064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).