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

C14H19FN4O — CID 106967238

IUPACN-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(Nc2ccc(C)cc2F)o1
InChIInChI=1S/C14H19FN4O/c1-4-7-16-10(3)13-18-19-14(20-13)17-12-6-5-9(2)8-11(12)15/h5-6,8,10,16H,4,7H2,1-3H3,(H,17,19)
InChIKeyPSFZLJIZXXEMKH-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.32
Rot. Bonds6

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

N-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106967238) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106967238
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(Nc2ccc(C)cc2F)o1
InChIInChI=1S/C14H19FN4O/c1-4-7-16-10(3)13-18-19-14(20-13)17-12-6-5-9(2)8-11(12)15/h5-6,8,10,16H,4,7H2,1-3H3,(H,17,19)
InChIKeyPSFZLJIZXXEMKH-UHFFFAOYSA-N
XLogP3.32
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106967238) is N-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(Nc2ccc(C)cc2F)o1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is PSFZLJIZXXEMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-4-7-16-10(3)13-18-19-14(20-13)17-12-6-5-9(2)8-11(12)15/h5-6,8,10,16H,4,7H2,1-3H3,(H,17,19).
What are the key properties of N-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 278.33 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).