N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide

C6H8FN3O2 — CID 130736650

IUPACN-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(CF)NC(=O)c1cnon1
InChIInChI=1S/C6H8FN3O2/c1-4(2-7)9-6(11)5-3-8-12-10-5/h3-4H,2H2,1H3,(H,9,11)
InChIKeyIELWCXSIEADIOD-UHFFFAOYSA-N
MW173.15 g/mol
LogP0.16
Rot. Bonds3

About N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide

N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 130736650) has the molecular formula C6H8FN3O2 and a molecular weight of 173.15 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID130736650
Molecular FormulaC6H8FN3O2
Molecular Weight173.15 g/mol
Exact Mass173.06
IUPAC NameN-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(CF)NC(=O)c1cnon1
InChIInChI=1S/C6H8FN3O2/c1-4(2-7)9-6(11)5-3-8-12-10-5/h3-4H,2H2,1H3,(H,9,11)
InChIKeyIELWCXSIEADIOD-UHFFFAOYSA-N
XLogP0.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide (CID 130736650) is N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide is CC(CF)NC(=O)c1cnon1.
What is the InChIKey of N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is IELWCXSIEADIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2/c1-4(2-7)9-6(11)5-3-8-12-10-5/h3-4H,2H2,1H3,(H,9,11).
What are the key properties of N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 173.15 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 130736650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).