(4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one

C23H21NO3 — CID 139115597

IUPAC(4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one
SMILESCC1(C)OC(=O)[C@@H](Cc2ccccc2)N1C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H21NO3/c1-23(2)24(20(22(26)27-23)15-16-9-4-3-5-10-16)21(25)19-14-8-12-17-11-6-7-13-18(17)19/h3-14,20H,15H2,1-2H3/t20-/m1/s1
InChIKeyMURUEXIAPQYXPX-HXUWFJFHSA-N
MW359.43 g/mol
LogP4.19
Rot. Bonds3

About (4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one

(4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one (PubChem CID 139115597) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one
PubChem CID139115597
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name(4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one
SMILESCC1(C)OC(=O)[C@@H](Cc2ccccc2)N1C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H21NO3/c1-23(2)24(20(22(26)27-23)15-16-9-4-3-5-10-16)21(25)19-14-8-12-17-11-6-7-13-18(17)19/h3-14,20H,15H2,1-2H3/t20-/m1/s1
InChIKeyMURUEXIAPQYXPX-HXUWFJFHSA-N
XLogP4.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one?
The IUPAC name of (4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one (CID 139115597) is (4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for (4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one?
The canonical SMILES for (4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one is CC1(C)OC(=O)[C@@H](Cc2ccccc2)N1C(=O)c1cccc2ccccc12.
What is the InChIKey of (4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one?
The InChIKey is MURUEXIAPQYXPX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21NO3/c1-23(2)24(20(22(26)27-23)15-16-9-4-3-5-10-16)21(25)19-14-8-12-17-11-6-7-13-18(17)19/h3-14,20H,15H2,1-2H3/t20-/m1/s1.
What are the key properties of (4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one?
(4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one has a molecular weight of 359.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-2,2-dimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 139115597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).