(4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one

C16H21NO3 — CID 27281565

IUPAC(4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-12(2)9-15(18)17-14(11-20-16(17)19)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyKRDPQMGISZMVOQ-JSGCOSHPSA-N
MW275.35 g/mol
LogP3.01
Rot. Bonds5

About (4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 27281565) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID27281565
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-12(2)9-15(18)17-14(11-20-16(17)19)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyKRDPQMGISZMVOQ-JSGCOSHPSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one (CID 27281565) is (4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one is CC[C@H](C)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is KRDPQMGISZMVOQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-12(2)9-15(18)17-14(11-20-16(17)19)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(3S)-3-methylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 27281565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).