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

C14H17FN4O2 — CID 106964553

IUPAC5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESCCOc1ccc(Nc2nnc(CNC3CC3)o2)cc1F
InChIInChI=1S/C14H17FN4O2/c1-2-20-12-6-5-10(7-11(12)15)17-14-19-18-13(21-14)8-16-9-3-4-9/h5-7,9,16H,2-4,8H2,1H3,(H,17,19)
InChIKeyVEAIOUOCLRVBTK-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.60
Rot. Bonds7

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

5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964553) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106964553
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESCCOc1ccc(Nc2nnc(CNC3CC3)o2)cc1F
InChIInChI=1S/C14H17FN4O2/c1-2-20-12-6-5-10(7-11(12)15)17-14-19-18-13(21-14)8-16-9-3-4-9/h5-7,9,16H,2-4,8H2,1H3,(H,17,19)
InChIKeyVEAIOUOCLRVBTK-UHFFFAOYSA-N
XLogP2.60
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106964549
5-[(cyclopropylamino)methyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966723
5-[(cyclopropylamino)methyl]-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967236
N-(4-chloro-2-fluorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959963
2-[4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol
CID 106969770
N-(3,4-difluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967871
N-(2-chloro-4-fluorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966927
5-[(cyclopropylamino)methyl]-N-[1-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970352
N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966611
N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 60702922
N-(4-ethoxy-3-fluorophenyl)oxolan-3-amine
CID 115743254
N-(2-chloro-5-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969888

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine (CID 106964553) is 5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine is CCOc1ccc(Nc2nnc(CNC3CC3)o2)cc1F.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VEAIOUOCLRVBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-2-20-12-6-5-10(7-11(12)15)17-14-19-18-13(21-14)8-16-9-3-4-9/h5-7,9,16H,2-4,8H2,1H3,(H,17,19).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 292.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).