5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one

C19H18FNO2 — CID 145463829

IUPAC5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCCC2=CC=C=CC=C2)CN1c1ccc(F)cc1
InChIInChI=1S/C19H18FNO2/c20-16-10-12-17(13-11-16)21-14-18(23-19(21)22)9-5-8-15-6-3-1-2-4-7-15/h1,3-4,6-7,10-13,18H,5,8-9,14H2
InChIKeyVEQQYJLFUPLJPP-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.53
Rot. Bonds5

About 5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one

5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 145463829) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID145463829
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCCC2=CC=C=CC=C2)CN1c1ccc(F)cc1
InChIInChI=1S/C19H18FNO2/c20-16-10-12-17(13-11-16)21-14-18(23-19(21)22)9-5-8-15-6-3-1-2-4-7-15/h1,3-4,6-7,10-13,18H,5,8-9,14H2
InChIKeyVEQQYJLFUPLJPP-UHFFFAOYSA-N
XLogP4.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000
5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 51000280
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 14368941
3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 143755381
4-[4-[(5S)-2-oxo-5-(3-phenylpropyl)-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 158701330
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 22368592
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
5-[(dimethylsulfamoylamino)methyl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine
CID 16922442
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 145463829) is 5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is O=C1OC(CCCC2=CC=C=CC=C2)CN1c1ccc(F)cc1.
What is the InChIKey of 5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is VEQQYJLFUPLJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-16-10-12-17(13-11-16)21-14-18(23-19(21)22)9-5-8-15-6-3-1-2-4-7-15/h1,3-4,6-7,10-13,18H,5,8-9,14H2.
What are the key properties of 5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 311.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 145463829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).