2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile

C14H10FN3O2 — CID 141213401

IUPAC2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile
SMILESCC(=C(C#N)C#N)c1ccc(N2CCOC2=O)cc1F
InChIInChI=1S/C14H10FN3O2/c1-9(10(7-16)8-17)12-3-2-11(6-13(12)15)18-4-5-20-14(18)19/h2-3,6H,4-5H2,1H3
InChIKeyHFPGVCPNNDYKOP-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.60
Rot. Bonds2

About 2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile

2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile (PubChem CID 141213401) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile
PubChem CID141213401
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile
SMILESCC(=C(C#N)C#N)c1ccc(N2CCOC2=O)cc1F
InChIInChI=1S/C14H10FN3O2/c1-9(10(7-16)8-17)12-3-2-11(6-13(12)15)18-4-5-20-14(18)19/h2-3,6H,4-5H2,1H3
InChIKeyHFPGVCPNNDYKOP-UHFFFAOYSA-N
XLogP2.60
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
CID 141011533
3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
CID 158400380
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 20785452
3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 142270175
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 58484633
ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one
CID 142959710
3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 89289415
ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol
CID 142959688
3-[3-fluoro-4-(3-methyl-4-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 140974557
3-(3-chloro-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 58394005
3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
CID 66817851

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile?
The IUPAC name of 2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile (CID 141213401) is 2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile.
What is the SMILES notation for 2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile?
The canonical SMILES for 2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile is CC(=C(C#N)C#N)c1ccc(N2CCOC2=O)cc1F.
What is the InChIKey of 2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile?
The InChIKey is HFPGVCPNNDYKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-9(10(7-16)8-17)12-3-2-11(6-13(12)15)18-4-5-20-14(18)19/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile?
2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile has a molecular weight of 271.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile is sourced from PubChem (CID 141213401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).