3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine

C14H12FN3OS — CID 63618388

IUPAC3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc(Cc3ccccc3F)no2)c(N)s1
InChIInChI=1S/C14H12FN3OS/c1-8-6-10(13(16)20-8)14-17-12(18-19-14)7-9-4-2-3-5-11(9)15/h2-6H,7,16H2,1H3
InChIKeyJOOYUHSEEWNKKV-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.42
Rot. Bonds3

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

3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine (PubChem CID 63618388) has the molecular formula C14H12FN3OS and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
PubChem CID63618388
Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
Exact Mass289.07
IUPAC Name3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc(Cc3ccccc3F)no2)c(N)s1
InChIInChI=1S/C14H12FN3OS/c1-8-6-10(13(16)20-8)14-17-12(18-19-14)7-9-4-2-3-5-11(9)15/h2-6H,7,16H2,1H3
InChIKeyJOOYUHSEEWNKKV-UHFFFAOYSA-N
XLogP3.42
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-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

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 63618214
5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63618217
3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63617374
2-chloro-6-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 107050642
5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63617375
5-methyl-3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103472509
4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 106503357
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63616700
4-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 63654384
5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790421
3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136789900
5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811636

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
The IUPAC name of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine (CID 63618388) is 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine is Cc1cc(-c2nc(Cc3ccccc3F)no2)c(N)s1.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
The InChIKey is JOOYUHSEEWNKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-8-6-10(13(16)20-8)14-17-12(18-19-14)7-9-4-2-3-5-11(9)15/h2-6H,7,16H2,1H3.
What are the key properties of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine has a molecular weight of 289.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine is sourced from PubChem (CID 63618388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).