acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne

C26H36FNO4 — CID 142174372

IUPACacetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne
SMILESC#C.C#CC.C/C=C\C.C=CC.O=C(CCC[C@H](O)c1ccc(F)cc1)N1CCOC1=O
InChIInChI=1S/C14H16FNO4.C4H8.C3H6.C3H4.C2H2/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;2*1-3-2;1-2/h4-7,12,17H,1-3,8-9H2;3-4H,1-2H3;3H,1H2,2H3;1H,2H3;1-2H/b;4-3-;;;/t12-;;;;/m0..../s1
InChIKeyMJUBGXCNEVSXSE-DRRJJYMHSA-N
MW445.58 g/mol
LogP5.67
Rot. Bonds5

About acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne

acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne (PubChem CID 142174372) has the molecular formula C26H36FNO4 and a molecular weight of 445.58 g/mol. Its IUPAC name is acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne.

Molecular Properties

Compound Nameacetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne
PubChem CID142174372
Molecular FormulaC26H36FNO4
Molecular Weight445.58 g/mol
Exact Mass445.26
IUPAC Nameacetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne
SMILESC#C.C#CC.C/C=C\C.C=CC.O=C(CCC[C@H](O)c1ccc(F)cc1)N1CCOC1=O
InChIInChI=1S/C14H16FNO4.C4H8.C3H6.C3H4.C2H2/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;2*1-3-2;1-2/h4-7,12,17H,1-3,8-9H2;3-4H,1-2H3;3H,1H2,2H3;1H,2H3;1-2H/b;4-3-;;;/t12-;;;;/m0..../s1
InChIKeyMJUBGXCNEVSXSE-DRRJJYMHSA-N
XLogP5.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.58
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne with MolForge

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Related Compounds

but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene
CID 143276417
3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-methylidenephosphanyl-1,3-oxazolidin-2-one
CID 91274522
(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one
CID 71228944
3-[(E)-hex-4-enoyl]-1,3-oxazolidin-2-one
CID 15502915
3-non-8-enoyl-1,3-oxazolidin-2-one
CID 89302555
ethane;3-[3-(4-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]propanoyl]-1,3-oxazolidin-2-one
CID 144917286
1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-ol
CID 4132449
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one
CID 78036039
3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one
CID 141382545
1-(4-fluorophenyl)oct-7-en-1-ol
CID 107008476

Frequently Asked Questions

What is the IUPAC name of acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne?
The IUPAC name of acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne (CID 142174372) is acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne.
What is the SMILES notation for acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne?
The canonical SMILES for acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne is C#C.C#CC.C/C=C\C.C=CC.O=C(CCC[C@H](O)c1ccc(F)cc1)N1CCOC1=O.
What is the InChIKey of acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne?
The InChIKey is MJUBGXCNEVSXSE-DRRJJYMHSA-N. The full InChI is InChI=1S/C14H16FNO4.C4H8.C3H6.C3H4.C2H2/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;2*1-3-2;1-2/h4-7,12,17H,1-3,8-9H2;3-4H,1-2H3;3H,1H2,2H3;1H,2H3;1-2H/b;4-3-;;;/t12-;;;;/m0..../s1.
What are the key properties of acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne?
acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne has a molecular weight of 445.58 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne is sourced from PubChem (CID 142174372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).