2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid

C17H13F3N2O4 — CID 22261687

IUPAC2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OC(c2ccncc2)C1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O4/c18-17(19,20)12-3-1-10(2-4-12)9-13-14(11-5-7-21-8-6-11)26-16(25)22(13)15(23)24/h1-8,13-14H,9H2,(H,23,24)
InChIKeyGYTGUZNHUPMFCW-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.88
Rot. Bonds3

About 2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid

2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid (PubChem CID 22261687) has the molecular formula C17H13F3N2O4 and a molecular weight of 366.30 g/mol. Its IUPAC name is 2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid
PubChem CID22261687
Molecular FormulaC17H13F3N2O4
Molecular Weight366.30 g/mol
Exact Mass366.08
IUPAC Name2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OC(c2ccncc2)C1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O4/c18-17(19,20)12-3-1-10(2-4-12)9-13-14(11-5-7-21-8-6-11)26-16(25)22(13)15(23)24/h1-8,13-14H,9H2,(H,23,24)
InChIKeyGYTGUZNHUPMFCW-UHFFFAOYSA-N
XLogP3.88
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 115062243
pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate
CID 151970254
(4R,5S)-5-(4-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 69170050
(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylic acid
CID 15205306
(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]-3H-2-benzofuran-1-one
CID 42630101
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
acetic acid;4-(trifluoromethyl)pyridine;hydrobromide
CID 174739301
tert-butyl 5-(4-fluorophenyl)-2-oxo-4-[[3-(trifluoromethylsulfanyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate
CID 86593283
(4S,5S)-4-benzyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-3-propanoyl-1,3-oxazolidin-2-one
CID 11215937
4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
CID 115062318
(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[[4-(trifluoromethyl)phenyl]methyl]-5,6-bis(2-trimethylsilylethoxymethoxy)-1,3-diazepan-2-one
CID 10724419
4-tert-butyl-5-(6-chloro-3-pyridinyl)-2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid
CID 86593253

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid (CID 22261687) is 2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid is O=C(O)N1C(=O)OC(c2ccncc2)C1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is GYTGUZNHUPMFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4/c18-17(19,20)12-3-1-10(2-4-12)9-13-14(11-5-7-21-8-6-11)26-16(25)22(13)15(23)24/h1-8,13-14H,9H2,(H,23,24).
What are the key properties of 2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid?
2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 366.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 22261687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).