N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine

C15H18F2N4O — CID 72912725

IUPACN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NC2CCN(Cc3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C15H18F2N4O/c1-10-19-20-15(22-10)18-14-2-4-21(5-3-14)9-11-6-12(16)8-13(17)7-11/h6-8,14H,2-5,9H2,1H3,(H,18,20)
InChIKeyGJIBEHYYFZZAMX-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.73
Rot. Bonds4

About N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine

N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 72912725) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID72912725
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NC2CCN(Cc3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C15H18F2N4O/c1-10-19-20-15(22-10)18-14-2-4-21(5-3-14)9-11-6-12(16)8-13(17)7-11/h6-8,14H,2-5,9H2,1H3,(H,18,20)
InChIKeyGJIBEHYYFZZAMX-UHFFFAOYSA-N
XLogP2.73
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 72912725) is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NC2CCN(Cc3cc(F)cc(F)c3)CC2)o1.
What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is GJIBEHYYFZZAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c1-10-19-20-15(22-10)18-14-2-4-21(5-3-14)9-11-6-12(16)8-13(17)7-11/h6-8,14H,2-5,9H2,1H3,(H,18,20).
What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 308.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72912725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).