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

C14H17FN4O — CID 106960168

IUPAC5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1ccc(F)cc1)c1nnc(CNC2CC2)o1
InChIInChI=1S/C14H17FN4O/c1-19(9-10-2-4-11(15)5-3-10)14-18-17-13(20-14)8-16-12-6-7-12/h2-5,12,16H,6-9H2,1H3
InChIKeyUUKGWEIAJVDGLY-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.10
Rot. Bonds6

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

5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106960168) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106960168
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1ccc(F)cc1)c1nnc(CNC2CC2)o1
InChIInChI=1S/C14H17FN4O/c1-19(9-10-2-4-11(15)5-3-10)14-18-17-13(20-14)8-16-12-6-7-12/h2-5,12,16H,6-9H2,1H3
InChIKeyUUKGWEIAJVDGLY-UHFFFAOYSA-N
XLogP2.10
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 106960168) is 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is CN(Cc1ccc(F)cc1)c1nnc(CNC2CC2)o1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is UUKGWEIAJVDGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-19(9-10-2-4-11(15)5-3-10)14-18-17-13(20-14)8-16-12-6-7-12/h2-5,12,16H,6-9H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 276.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).