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

C6H7F2N3O — CID 130678032

IUPACN-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
SMILESFC(F)c1nnc(NC2CC2)o1
InChIInChI=1S/C6H7F2N3O/c7-4(8)5-10-11-6(12-5)9-3-1-2-3/h3-4H,1-2H2,(H,9,11)
InChIKeyVHLWAPMQFCOIQP-UHFFFAOYSA-N
MW175.14 g/mol
LogP1.58
Rot. Bonds3

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

N-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 130678032) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is N-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
PubChem CID130678032
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC NameN-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
SMILESFC(F)c1nnc(NC2CC2)o1
InChIInChI=1S/C6H7F2N3O/c7-4(8)5-10-11-6(12-5)9-3-1-2-3/h3-4H,1-2H2,(H,9,11)
InChIKeyVHLWAPMQFCOIQP-UHFFFAOYSA-N
XLogP1.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine (CID 130678032) is N-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine is FC(F)c1nnc(NC2CC2)o1.
What is the InChIKey of N-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VHLWAPMQFCOIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-4(8)5-10-11-6(12-5)9-3-1-2-3/h3-4H,1-2H2,(H,9,11).
What are the key properties of N-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine?
N-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 175.14 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 130678032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).