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

C13H17FN4O — CID 106960175

IUPAC5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(N(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C13H17FN4O/c1-3-15-8-12-16-17-13(19-12)18(2)9-10-4-6-11(14)7-5-10/h4-7,15H,3,8-9H2,1-2H3
InChIKeyGPRBFFLTYSXHTF-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.95
Rot. Bonds6

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

5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106960175) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106960175
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(N(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C13H17FN4O/c1-3-15-8-12-16-17-13(19-12)18(2)9-10-4-6-11(14)7-5-10/h4-7,15H,3,8-9H2,1-2H3
InChIKeyGPRBFFLTYSXHTF-UHFFFAOYSA-N
XLogP1.95
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 106960175) is 5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is CCNCc1nnc(N(C)Cc2ccc(F)cc2)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is GPRBFFLTYSXHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-3-15-8-12-16-17-13(19-12)18(2)9-10-4-6-11(14)7-5-10/h4-7,15H,3,8-9H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 264.30 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).