but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene

C21H28FNO4 — CID 143276417

IUPACbut-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene
SMILESC=CC.C=CCC.O=C(CCCC(=O)N1CCOC1=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO4.C4H8.C3H6/c15-11-6-4-10(5-7-11)12(17)2-1-3-13(18)16-8-9-20-14(16)19;1-3-4-2;1-3-2/h4-7H,1-3,8-9H2;3H,1,4H2,2H3;3H,1H2,2H3
InChIKeyNBWYRBSOYBDOCT-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.93
Rot. Bonds6

About but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene

but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene (PubChem CID 143276417) has the molecular formula C21H28FNO4 and a molecular weight of 377.46 g/mol. Its IUPAC name is but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene.

Molecular Properties

Compound Namebut-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene
PubChem CID143276417
Molecular FormulaC21H28FNO4
Molecular Weight377.46 g/mol
Exact Mass377.20
IUPAC Namebut-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene
SMILESC=CC.C=CCC.O=C(CCCC(=O)N1CCOC1=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO4.C4H8.C3H6/c15-11-6-4-10(5-7-11)12(17)2-1-3-13(18)16-8-9-20-14(16)19;1-3-4-2;1-3-2/h4-7H,1-3,8-9H2;3H,1,4H2,2H3;3H,1H2,2H3
InChIKeyNBWYRBSOYBDOCT-UHFFFAOYSA-N
XLogP4.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene?
The IUPAC name of but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene (CID 143276417) is but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene.
What is the SMILES notation for but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene?
The canonical SMILES for but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene is C=CC.C=CCC.O=C(CCCC(=O)N1CCOC1=O)c1ccc(F)cc1.
What is the InChIKey of but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene?
The InChIKey is NBWYRBSOYBDOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4.C4H8.C3H6/c15-11-6-4-10(5-7-11)12(17)2-1-3-13(18)16-8-9-20-14(16)19;1-3-4-2;1-3-2/h4-7H,1-3,8-9H2;3H,1,4H2,2H3;3H,1H2,2H3.
What are the key properties of but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene?
but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene has a molecular weight of 377.46 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene is sourced from PubChem (CID 143276417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).