N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

C13H17FN4O — CID 106960169

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(N(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C13H17FN4O/c1-9(15-2)12-16-17-13(19-12)18(3)8-10-4-6-11(14)7-5-10/h4-7,9,15H,8H2,1-3H3
InChIKeyFIJLIOZAVYSPKS-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.13
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960169) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960169
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(N(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C13H17FN4O/c1-9(15-2)12-16-17-13(19-12)18(3)8-10-4-6-11(14)7-5-10/h4-7,9,15H,8H2,1-3H3
InChIKeyFIJLIOZAVYSPKS-UHFFFAOYSA-N
XLogP2.13
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106960169) is N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(N(C)Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FIJLIOZAVYSPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-9(15-2)12-16-17-13(19-12)18(3)8-10-4-6-11(14)7-5-10/h4-7,9,15H,8H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 264.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).