(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one

C22H25NO3 — CID 70251380

IUPAC(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCCCCc1ccccc1)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C22H25NO3/c24-21(15-9-3-6-12-18-10-4-1-5-11-18)23-20(17-26-22(23)25)16-19-13-7-2-8-14-19/h1-2,4-5,7-8,10-11,13-14,20H,3,6,9,12,15-17H2/t20-/m1/s1
InChIKeyICSPMLXDQHTSGU-HXUWFJFHSA-N
MW351.45 g/mol
LogP4.38
Rot. Bonds8

About (4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one (PubChem CID 70251380) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
PubChem CID70251380
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCCCCc1ccccc1)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C22H25NO3/c24-21(15-9-3-6-12-18-10-4-1-5-11-18)23-20(17-26-22(23)25)16-19-13-7-2-8-14-19/h1-2,4-5,7-8,10-11,13-14,20H,3,6,9,12,15-17H2/t20-/m1/s1
InChIKeyICSPMLXDQHTSGU-HXUWFJFHSA-N
XLogP4.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.38
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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Related Compounds

(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one
CID 23373753
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-[3-(4-chlorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 69077529
(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 57045887
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one
CID 102401586
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one (CID 70251380) is (4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one is O=C(CCCCCc1ccccc1)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one?
The InChIKey is ICSPMLXDQHTSGU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25NO3/c24-21(15-9-3-6-12-18-10-4-1-5-11-18)23-20(17-26-22(23)25)16-19-13-7-2-8-14-19/h1-2,4-5,7-8,10-11,13-14,20H,3,6,9,12,15-17H2/t20-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one has a molecular weight of 351.45 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70251380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).