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

C12H15FN4O — CID 106960165

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(N(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C12H15FN4O/c1-14-7-11-15-16-12(18-11)17(2)8-9-3-5-10(13)6-4-9/h3-6,14H,7-8H2,1-2H3
InChIKeySASAYVUCDOUFPF-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.56
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960165) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960165
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(N(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C12H15FN4O/c1-14-7-11-15-16-12(18-11)17(2)8-9-3-5-10(13)6-4-9/h3-6,14H,7-8H2,1-2H3
InChIKeySASAYVUCDOUFPF-UHFFFAOYSA-N
XLogP1.56
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.56
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-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106960165) is N-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(N(C)Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is SASAYVUCDOUFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-14-7-11-15-16-12(18-11)17(2)8-9-3-5-10(13)6-4-9/h3-6,14H,7-8H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 250.28 g/mol, XLogP of 1.56, 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-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).