N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine

C12H12F2N4O — CID 110456245

IUPACN-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(Nc2nnc(C3CCCN3)o2)c(F)c1
InChIInChI=1S/C12H12F2N4O/c13-7-3-4-9(8(14)6-7)16-12-18-17-11(19-12)10-2-1-5-15-10/h3-4,6,10,15H,1-2,5H2,(H,16,18)
InChIKeyFOODUFXVKLEISR-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.52
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine

N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 110456245) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID110456245
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC NameN-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(Nc2nnc(C3CCCN3)o2)c(F)c1
InChIInChI=1S/C12H12F2N4O/c13-7-3-4-9(8(14)6-7)16-12-18-17-11(19-12)10-2-1-5-15-10/h3-4,6,10,15H,1-2,5H2,(H,16,18)
InChIKeyFOODUFXVKLEISR-UHFFFAOYSA-N
XLogP2.52
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine (CID 110456245) is N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine is Fc1ccc(Nc2nnc(C3CCCN3)o2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is FOODUFXVKLEISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c13-7-3-4-9(8(14)6-7)16-12-18-17-11(19-12)10-2-1-5-15-10/h3-4,6,10,15H,1-2,5H2,(H,16,18).
What are the key properties of N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine?
N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 266.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).