4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one

C13H15NO3 — CID 4050249

IUPAC4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(COC1=O)CC2=CC=CC=C2
InChIInChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyWHOBYFHKONUTMW-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.20
Rot. Bonds3

About 4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one

4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one (PubChem CID 4050249) has the molecular formula C13H15NO3 and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-benzyl-3-propanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
PubChem CID4050249
Molecular FormulaC13H15NO3
Molecular Weight233.26 g/mol
Exact Mass233.11
IUPAC Name4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(COC1=O)CC2=CC=CC=C2
InChIInChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyWHOBYFHKONUTMW-UHFFFAOYSA-N
XLogP2.20
TPSA46.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity297

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-4-Benzyl-2-oxazolidinone
CID 2734969
3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
Ephedroxane
CID 161171
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(S)-4-Benzyl-2-oxazolidinone
CID 736225
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
Locostatin
CID 5702600
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737

Frequently Asked Questions

What is the IUPAC name of 4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one (CID 4050249) is 4-benzyl-3-propanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one is CCC(=O)N1C(COC1=O)CC2=CC=CC=C2.
What is the InChIKey of 4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one?
The InChIKey is WHOBYFHKONUTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of 4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one?
4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one has a molecular weight of 233.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 4050249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).