3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid

C14H14F3NO4 — CID 115060064

IUPAC3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid
SMILESO=C(O)CCC1CN(Cc2ccccc2C(F)(F)F)C(=O)O1
InChIInChI=1S/C14H14F3NO4/c15-14(16,17)11-4-2-1-3-9(11)7-18-8-10(22-13(18)21)5-6-12(19)20/h1-4,10H,5-8H2,(H,19,20)
InChIKeyDQOJQDKQEBXAEF-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.89
Rot. Bonds5

About 3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid

3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid (PubChem CID 115060064) has the molecular formula C14H14F3NO4 and a molecular weight of 317.26 g/mol. Its IUPAC name is 3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid
PubChem CID115060064
Molecular FormulaC14H14F3NO4
Molecular Weight317.26 g/mol
Exact Mass317.09
IUPAC Name3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid
SMILESO=C(O)CCC1CN(Cc2ccccc2C(F)(F)F)C(=O)O1
InChIInChI=1S/C14H14F3NO4/c15-14(16,17)11-4-2-1-3-9(11)7-18-8-10(22-13(18)21)5-6-12(19)20/h1-4,10H,5-8H2,(H,19,20)
InChIKeyDQOJQDKQEBXAEF-UHFFFAOYSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060062
3-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dioxolan-4-yl]propanoic acid
CID 117169611
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione
CID 79515562
5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060054
1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione
CID 79517938
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 56913627
2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid
CID 175838472
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 63091103
1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 115101791
5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060056
2-[[(4R)-4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-methylamino]acetic acid
CID 128993026

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid?
The IUPAC name of 3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid (CID 115060064) is 3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid?
The canonical SMILES for 3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid is O=C(O)CCC1CN(Cc2ccccc2C(F)(F)F)C(=O)O1.
What is the InChIKey of 3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid?
The InChIKey is DQOJQDKQEBXAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO4/c15-14(16,17)11-4-2-1-3-9(11)7-18-8-10(22-13(18)21)5-6-12(19)20/h1-4,10H,5-8H2,(H,19,20).
What are the key properties of 3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid?
3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid has a molecular weight of 317.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid is sourced from PubChem (CID 115060064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).