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

C13H15FN4O — CID 106967236

IUPAC5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2nnc(CNC3CC3)o2)c(F)c1
InChIInChI=1S/C13H15FN4O/c1-8-2-5-11(10(14)6-8)16-13-18-17-12(19-13)7-15-9-3-4-9/h2,5-6,9,15H,3-4,7H2,1H3,(H,16,18)
InChIKeyBAYJRBZVHKLRGA-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.51
Rot. Bonds5

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

5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967236) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967236
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2nnc(CNC3CC3)o2)c(F)c1
InChIInChI=1S/C13H15FN4O/c1-8-2-5-11(10(14)6-8)16-13-18-17-12(19-13)7-15-9-3-4-9/h2,5-6,9,15H,3-4,7H2,1H3,(H,16,18)
InChIKeyBAYJRBZVHKLRGA-UHFFFAOYSA-N
XLogP2.51
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959963
N-(2-chloro-4-fluorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966927
5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106964553
N-(2-chloro-5-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969888
N-(2-fluoro-5-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968490
5-[(cyclopropylamino)methyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966723
5-[(cyclopropylamino)methyl]-N-[1-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970352
5-[1-(ethylamino)ethyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967242
N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968128
N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966987
5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960369
5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967429

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 106967236) is 5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1ccc(Nc2nnc(CNC3CC3)o2)c(F)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BAYJRBZVHKLRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-2-5-11(10(14)6-8)16-13-18-17-12(19-13)7-15-9-3-4-9/h2,5-6,9,15H,3-4,7H2,1H3,(H,16,18).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 262.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).