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

C10H13F3N4O2 — CID 55103666

IUPAC4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1nonc1N
InChIInChI=1S/C10H13F3N4O2/c1-5(6-2-3-6)17(4-10(11,12)13)9(18)7-8(14)16-19-15-7/h5-6H,2-4H2,1H3,(H2,14,16)
InChIKeyQGBNNABKFIYLQU-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.45
Rot. Bonds4

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

4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55103666) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID55103666
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1nonc1N
InChIInChI=1S/C10H13F3N4O2/c1-5(6-2-3-6)17(4-10(11,12)13)9(18)7-8(14)16-19-15-7/h5-6H,2-4H2,1H3,(H2,14,16)
InChIKeyQGBNNABKFIYLQU-UHFFFAOYSA-N
XLogP1.45
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide (CID 55103666) is 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is QGBNNABKFIYLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-5(6-2-3-6)17(4-10(11,12)13)9(18)7-8(14)16-19-15-7/h5-6H,2-4H2,1H3,(H2,14,16).
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55103666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).