3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one

C12H12ClF3N2O3 — CID 71937226

IUPAC3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCCn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C12H12ClF3N2O3/c13-9-6-8(12(14,15)16)7-18(10(9)19)3-1-2-17-4-5-21-11(17)20/h6-7H,1-5H2
InChIKeyWESWSCLHCMSTPG-UHFFFAOYSA-N
MW324.69 g/mol
LogP2.36
Rot. Bonds4

About 3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one

3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one (PubChem CID 71937226) has the molecular formula C12H12ClF3N2O3 and a molecular weight of 324.69 g/mol. Its IUPAC name is 3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one
PubChem CID71937226
Molecular FormulaC12H12ClF3N2O3
Molecular Weight324.69 g/mol
Exact Mass324.05
IUPAC Name3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCCn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C12H12ClF3N2O3/c13-9-6-8(12(14,15)16)7-18(10(9)19)3-1-2-17-4-5-21-11(17)20/h6-7H,1-5H2
InChIKeyWESWSCLHCMSTPG-UHFFFAOYSA-N
XLogP2.36
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.69
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one
CID 56570581
1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one
CID 82144141
N-carbamoyl-3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
CID 51074834
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride
CID 142664980
3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 8894290
ethyl 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate
CID 71606958
1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one
CID 55733622
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 118793653
3-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 75414112
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133266609
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686957
N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24566343

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one (CID 71937226) is 3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCCn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one?
The InChIKey is WESWSCLHCMSTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O3/c13-9-6-8(12(14,15)16)7-18(10(9)19)3-1-2-17-4-5-21-11(17)20/h6-7H,1-5H2.
What are the key properties of 3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one?
3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one has a molecular weight of 324.69 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71937226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).