5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride

C5H3ClF3NO3 — CID 70432777

IUPAC5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnoc1C(F)(F)F
InChIInChI=1S/C5H2F3NO3.ClH/c6-5(7,8)3-2(4(10)11)1-9-12-3;/h1H,(H,10,11);1H
InChIKeyXHABNEUFGSCVQP-UHFFFAOYSA-N
MW217.53 g/mol
LogP1.81
Rot. Bonds1

About 5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride

5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride (PubChem CID 70432777) has the molecular formula C5H3ClF3NO3 and a molecular weight of 217.53 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride
PubChem CID70432777
Molecular FormulaC5H3ClF3NO3
Molecular Weight217.53 g/mol
Exact Mass216.98
IUPAC Name5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnoc1C(F)(F)F
InChIInChI=1S/C5H2F3NO3.ClH/c6-5(7,8)3-2(4(10)11)1-9-12-3;/h1H,(H,10,11);1H
InChIKeyXHABNEUFGSCVQP-UHFFFAOYSA-N
XLogP1.81
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.53
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride (CID 70432777) is 5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnoc1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride?
The InChIKey is XHABNEUFGSCVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NO3.ClH/c6-5(7,8)3-2(4(10)11)1-9-12-3;/h1H,(H,10,11);1H.
What are the key properties of 5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride?
5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride has a molecular weight of 217.53 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 70432777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).