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

C20H29NO3 — CID 14935662

IUPAC(4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one
SMILESCCCCCC[C@H](C)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H29NO3/c1-3-4-5-7-10-16(2)13-19(22)21-18(15-24-20(21)23)14-17-11-8-6-9-12-17/h6,8-9,11-12,16,18H,3-5,7,10,13-15H2,1-2H3/t16-,18-/m0/s1
InChIKeyRZMZTHHIAVERQY-WMZOPIPTSA-N
MW331.46 g/mol
LogP4.57
Rot. Bonds9

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

(4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one (PubChem CID 14935662) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one
PubChem CID14935662
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name(4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one
SMILESCCCCCC[C@H](C)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H29NO3/c1-3-4-5-7-10-16(2)13-19(22)21-18(15-24-20(21)23)14-17-11-8-6-9-12-17/h6,8-9,11-12,16,18H,3-5,7,10,13-15H2,1-2H3/t16-,18-/m0/s1
InChIKeyRZMZTHHIAVERQY-WMZOPIPTSA-N
XLogP4.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one (CID 14935662) is (4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one is CCCCCC[C@H](C)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one?
The InChIKey is RZMZTHHIAVERQY-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H29NO3/c1-3-4-5-7-10-16(2)13-19(22)21-18(15-24-20(21)23)14-17-11-8-6-9-12-17/h6,8-9,11-12,16,18H,3-5,7,10,13-15H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one has a molecular weight of 331.46 g/mol, XLogP of 4.57, 9 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-methylnonanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14935662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).