4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide

C7H7F3N4O2 — CID 106213366

IUPAC4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)6(1-2-6)12-5(15)3-4(11)14-16-13-3/h1-2H2,(H2,11,14)(H,12,15)
InChIKeyFFVKAGOEQHUWAK-UHFFFAOYSA-N
MW236.15 g/mol
LogP0.48
Rot. Bonds2

About 4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 106213366) has the molecular formula C7H7F3N4O2 and a molecular weight of 236.15 g/mol. Its IUPAC name is 4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID106213366
Molecular FormulaC7H7F3N4O2
Molecular Weight236.15 g/mol
Exact Mass236.05
IUPAC Name4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)6(1-2-6)12-5(15)3-4(11)14-16-13-3/h1-2H2,(H2,11,14)(H,12,15)
InChIKeyFFVKAGOEQHUWAK-UHFFFAOYSA-N
XLogP0.48
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide (CID 106213366) is 4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is FFVKAGOEQHUWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O2/c8-7(9,10)6(1-2-6)12-5(15)3-4(11)14-16-13-3/h1-2H2,(H2,11,14)(H,12,15).
What are the key properties of 4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 236.15 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(trifluoromethyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 106213366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).