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

C22H25NO4 — CID 21055360

IUPAC(4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H25NO4/c1-2-19(15-26-14-18-11-7-4-8-12-18)21(24)23-20(16-27-22(23)25)13-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16H2,1H3/t19-,20-/m0/s1
InChIKeyRPXBKCGCQQBIKE-PMACEKPBSA-N
MW367.44 g/mol
LogP3.82
Rot. Bonds8

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

(4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one (PubChem CID 21055360) has the molecular formula C22H25NO4 and a molecular weight of 367.44 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one
PubChem CID21055360
Molecular FormulaC22H25NO4
Molecular Weight367.44 g/mol
Exact Mass367.18
IUPAC Name(4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H25NO4/c1-2-19(15-26-14-18-11-7-4-8-12-18)21(24)23-20(16-27-22(23)25)13-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16H2,1H3/t19-,20-/m0/s1
InChIKeyRPXBKCGCQQBIKE-PMACEKPBSA-N
XLogP3.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one (CID 21055360) is (4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one is CC[C@@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is RPXBKCGCQQBIKE-PMACEKPBSA-N. The full InChI is InChI=1S/C22H25NO4/c1-2-19(15-26-14-18-11-7-4-8-12-18)21(24)23-20(16-27-22(23)25)13-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16H2,1H3/t19-,20-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 367.44 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2S)-2-(phenylmethoxymethyl)butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 21055360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).