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

C14H12FN3OS — CID 60929614

IUPAC5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCc1cc(-c2noc(-c3sc(N)cc3C)n2)ccc1F
InChIInChI=1S/C14H12FN3OS/c1-7-5-9(3-4-10(7)15)13-17-14(19-18-13)12-8(2)6-11(16)20-12/h3-6H,16H2,1-2H3
InChIKeyBPMKGZLQAWWCEM-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.80
Rot. Bonds2

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

5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (PubChem CID 60929614) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.

Molecular Properties

Compound Name5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
PubChem CID60929614
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCc1cc(-c2noc(-c3sc(N)cc3C)n2)ccc1F
InChIInChI=1S/C14H12FN3OS/c1-7-5-9(3-4-10(7)15)13-17-14(19-18-13)12-8(2)6-11(16)20-12/h3-6H,16H2,1-2H3
InChIKeyBPMKGZLQAWWCEM-UHFFFAOYSA-N
XLogP3.80
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-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-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 43150811
3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole
CID 99639331
2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 60930451
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
4-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 43670391
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 54933411
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63845407
2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 107922400
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348448
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263585
2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119948247

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The IUPAC name of 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (CID 60929614) is 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.
What is the SMILES notation for 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The canonical SMILES for 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is Cc1cc(-c2noc(-c3sc(N)cc3C)n2)ccc1F.
What is the InChIKey of 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The InChIKey is BPMKGZLQAWWCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-7-5-9(3-4-10(7)15)13-17-14(19-18-13)12-8(2)6-11(16)20-12/h3-6H,16H2,1-2H3.
What are the key properties of 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine has a molecular weight of 289.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is sourced from PubChem (CID 60929614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).