(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C12H14FN3O — CID 93350969

IUPAC(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@H](N)c1nc(-c2ccc(F)c(C)c2)no1
InChIInChI=1S/C12H14FN3O/c1-3-10(14)12-15-11(16-17-12)8-4-5-9(13)7(2)6-8/h4-6,10H,3,14H2,1-2H3/t10-/m0/s1
InChIKeyFTFQSHMXEXRCBK-JTQLQIEISA-N
MW235.26 g/mol
LogP2.59
Rot. Bonds3

About (1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 93350969) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is (1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID93350969
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@H](N)c1nc(-c2ccc(F)c(C)c2)no1
InChIInChI=1S/C12H14FN3O/c1-3-10(14)12-15-11(16-17-12)8-4-5-9(13)7(2)6-8/h4-6,10H,3,14H2,1-2H3/t10-/m0/s1
InChIKeyFTFQSHMXEXRCBK-JTQLQIEISA-N
XLogP2.59
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-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

(1S)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947990
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
5-(diethoxymethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 63773042
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263585
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832498
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685803
(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947822
(1R)-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94420580
1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 63093086
4-amino-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 82626703
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 82802644
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348448

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 93350969) is (1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC[C@H](N)c1nc(-c2ccc(F)c(C)c2)no1.
What is the InChIKey of (1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is FTFQSHMXEXRCBK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-10(14)12-15-11(16-17-12)8-4-5-9(13)7(2)6-8/h4-6,10H,3,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 235.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 93350969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).