4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one

C20H22N2O3 — CID 23373753

IUPAC4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCCCc1ccncc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(9-5-4-6-16-10-12-21-13-11-16)22-18(15-25-20(22)24)14-17-7-2-1-3-8-17/h1-3,7-8,10-13,18H,4-6,9,14-15H2
InChIKeyIJDWGOMWBUELIF-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.38
Rot. Bonds7

About 4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one

4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one (PubChem CID 23373753) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one
PubChem CID23373753
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCCCc1ccncc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(9-5-4-6-16-10-12-21-13-11-16)22-18(15-25-20(22)24)14-17-7-2-1-3-8-17/h1-3,7-8,10-13,18H,4-6,9,14-15H2
InChIKeyIJDWGOMWBUELIF-UHFFFAOYSA-N
XLogP3.38
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 70251380
(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
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(4R)-4-benzyl-3-[3-(4-chlorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 69077529
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4S)-4-benzyl-3-[9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoyl]-1,3-oxazolidin-2-one
CID 54245347
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
tert-butyl N-[4-[4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutyl]-2-pyridinyl]carbamate
CID 22940646

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one (CID 23373753) is 4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one is O=C(CCCCc1ccncc1)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one?
The InChIKey is IJDWGOMWBUELIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(9-5-4-6-16-10-12-21-13-11-16)22-18(15-25-20(22)24)14-17-7-2-1-3-8-17/h1-3,7-8,10-13,18H,4-6,9,14-15H2.
What are the key properties of 4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one?
4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one has a molecular weight of 338.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23373753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).