2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid

C10H5F3N2O3 — CID 155483929

IUPAC2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccnc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)7-3-5(1-2-14-7)8-15-6(4-18-8)9(16)17/h1-4H,(H,16,17)
InChIKeyVLPRAYLKEUEFTI-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.45
Rot. Bonds2

About 2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid

2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 155483929) has the molecular formula C10H5F3N2O3 and a molecular weight of 258.15 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
PubChem CID155483929
Molecular FormulaC10H5F3N2O3
Molecular Weight258.15 g/mol
Exact Mass258.03
IUPAC Name2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccnc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)7-3-5(1-2-14-7)8-15-6(4-18-8)9(16)17/h1-4H,(H,16,17)
InChIKeyVLPRAYLKEUEFTI-UHFFFAOYSA-N
XLogP2.45
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 137218916
2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 146599020
5-[2-(trifluoromethyl)-4-pyridinyl]-1,3,4-oxathiazol-2-one
CID 166761025
2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 77492295
2-[2-[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 118061655
2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
CID 67424422
2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid
CID 62234498
2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide
CID 142161933
2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 58443555
4-(furan-2-yl)-2-(trifluoromethyl)pyridine
CID 90317774
2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 88510664
2-[2-[6-(2-aminophenoxy)hex-1-ynyl]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 118636155

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid (CID 155483929) is 2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2ccnc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is VLPRAYLKEUEFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3/c11-10(12,13)7-3-5(1-2-14-7)8-15-6(4-18-8)9(16)17/h1-4H,(H,16,17).
What are the key properties of 2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 258.15 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 155483929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).