5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine

C7H9F2N3O — CID 130718439

IUPAC5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESFC(F)CNc1nnc(C2CC2)o1
InChIInChI=1S/C7H9F2N3O/c8-5(9)3-10-7-12-11-6(13-7)4-1-2-4/h4-5H,1-3H2,(H,10,12)
InChIKeyXTNTUOCFUZNRQT-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.62
Rot. Bonds4

About 5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 130718439) has the molecular formula C7H9F2N3O and a molecular weight of 189.16 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine
PubChem CID130718439
Molecular FormulaC7H9F2N3O
Molecular Weight189.16 g/mol
Exact Mass189.07
IUPAC Name5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESFC(F)CNc1nnc(C2CC2)o1
InChIInChI=1S/C7H9F2N3O/c8-5(9)3-10-7-12-11-6(13-7)4-1-2-4/h4-5H,1-3H2,(H,10,12)
InChIKeyXTNTUOCFUZNRQT-UHFFFAOYSA-N
XLogP1.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 169164194
5-(1,1,2,2,3,3,3-heptafluoropropyl)-N-propyl-1,3,4-oxadiazol-2-amine
CID 29932704
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide
CID 64591129
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261615
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2-difluoroacetamide
CID 103515404
5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106963597
5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967097
5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine
CID 126987602
N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 130615024
5-(difluoromethyl)-N-[(2-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine
CID 130653695
5-(difluoromethyl)-N-(2-methylcyclopropyl)-1,3,4-oxadiazol-2-amine
CID 130653983
N-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
CID 130678032

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine (CID 130718439) is 5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine is FC(F)CNc1nnc(C2CC2)o1.
What is the InChIKey of 5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XTNTUOCFUZNRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-5(9)3-10-7-12-11-6(13-7)4-1-2-4/h4-5H,1-3H2,(H,10,12).
What are the key properties of 5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 189.16 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 130718439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).