N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide

C7H7F2N3O2 — CID 103515404

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide
SMILESO=C(Nc1nnc(C2CC2)o1)C(F)F
InChIInChI=1S/C7H7F2N3O2/c8-4(9)5(13)10-7-12-11-6(14-7)3-1-2-3/h3-4H,1-2H2,(H,10,12,13)
InChIKeyPMRNWPLVGUBURQ-UHFFFAOYSA-N
MW203.15 g/mol
LogP1.15
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide (PubChem CID 103515404) has the molecular formula C7H7F2N3O2 and a molecular weight of 203.15 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide
PubChem CID103515404
Molecular FormulaC7H7F2N3O2
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide
SMILESO=C(Nc1nnc(C2CC2)o1)C(F)F
InChIInChI=1S/C7H7F2N3O2/c8-4(9)5(13)10-7-12-11-6(14-7)3-1-2-3/h3-4H,1-2H2,(H,10,12,13)
InChIKeyPMRNWPLVGUBURQ-UHFFFAOYSA-N
XLogP1.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide (CID 103515404) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide is O=C(Nc1nnc(C2CC2)o1)C(F)F.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide?
The InChIKey is PMRNWPLVGUBURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O2/c8-4(9)5(13)10-7-12-11-6(14-7)3-1-2-3/h3-4H,1-2H2,(H,10,12,13).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide has a molecular weight of 203.15 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103515404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).