(4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one

C16H21NO3 — CID 15597775

IUPAC(4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-16(2,3)10-14(18)17-13(11-20-15(17)19)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyDCCLDZPTFZUXDH-ZDUSSCGKSA-N
MW275.35 g/mol
LogP3.01
Rot. Bonds3

About (4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one (PubChem CID 15597775) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one
PubChem CID15597775
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-16(2,3)10-14(18)17-13(11-20-15(17)19)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyDCCLDZPTFZUXDH-ZDUSSCGKSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one (CID 15597775) is (4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one is CC(C)(C)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is DCCLDZPTFZUXDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(2,3)10-14(18)17-13(11-20-15(17)19)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15597775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).