3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide

C7H7F3N2O3 — CID 71802478

IUPAC3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCC(F)(F)F)on1
InChIInChI=1S/C7H7F3N2O3/c1-14-5-2-4(15-12-5)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13)
InChIKeySVVFOUYRNWVGSM-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.98
Rot. Bonds3

About 3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide

3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide (PubChem CID 71802478) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
PubChem CID71802478
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCC(F)(F)F)on1
InChIInChI=1S/C7H7F3N2O3/c1-14-5-2-4(15-12-5)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13)
InChIKeySVVFOUYRNWVGSM-UHFFFAOYSA-N
XLogP0.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide (CID 71802478) is 3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NCC(F)(F)F)on1.
What is the InChIKey of 3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is SVVFOUYRNWVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c1-14-5-2-4(15-12-5)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13).
What are the key properties of 3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide?
3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 224.14 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).