4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide

C9H13F3N4O2 — CID 55103814

IUPAC4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1nonc1N
InChIInChI=1S/C9H13F3N4O2/c1-5(2)3-16(4-9(10,11)12)8(17)6-7(13)15-18-14-6/h5H,3-4H2,1-2H3,(H2,13,15)
InChIKeyHGHAFZUMJGUPNN-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.31
Rot. Bonds4

About 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55103814) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID55103814
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1nonc1N
InChIInChI=1S/C9H13F3N4O2/c1-5(2)3-16(4-9(10,11)12)8(17)6-7(13)15-18-14-6/h5H,3-4H2,1-2H3,(H2,13,15)
InChIKeyHGHAFZUMJGUPNN-UHFFFAOYSA-N
XLogP1.31
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide (CID 55103814) is 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is HGHAFZUMJGUPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-5(2)3-16(4-9(10,11)12)8(17)6-7(13)15-18-14-6/h5H,3-4H2,1-2H3,(H2,13,15).
What are the key properties of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 266.22 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55103814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).