4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid

C5H3F3N2O3 — CID 82399895

IUPAC4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESNc1c(C(=O)O)noc1C(F)(F)F
InChIInChI=1S/C5H3F3N2O3/c6-5(7,8)3-1(9)2(4(11)12)10-13-3/h9H2,(H,11,12)
InChIKeyMLDSKMMYNYTPCU-UHFFFAOYSA-N
MW196.08 g/mol
LogP0.97
Rot. Bonds1

About 4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid

4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 82399895) has the molecular formula C5H3F3N2O3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID82399895
Molecular FormulaC5H3F3N2O3
Molecular Weight196.08 g/mol
Exact Mass196.01
IUPAC Name4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESNc1c(C(=O)O)noc1C(F)(F)F
InChIInChI=1S/C5H3F3N2O3/c6-5(7,8)3-1(9)2(4(11)12)10-13-3/h9H2,(H,11,12)
InChIKeyMLDSKMMYNYTPCU-UHFFFAOYSA-N
XLogP0.97
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid (CID 82399895) is 4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid is Nc1c(C(=O)O)noc1C(F)(F)F.
What is the InChIKey of 4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is MLDSKMMYNYTPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O3/c6-5(7,8)3-1(9)2(4(11)12)10-13-3/h9H2,(H,11,12).
What are the key properties of 4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 196.08 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82399895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).