1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C15H14FN3OS — CID 61104390

IUPAC1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCc1noc(CNCc2ccc(F)c(-c3cccs3)c2)n1
InChIInChI=1S/C15H14FN3OS/c1-10-18-15(20-19-10)9-17-8-11-4-5-13(16)12(7-11)14-3-2-6-21-14/h2-7,17H,8-9H2,1H3
InChIKeyFVSOSCCDDHQRQJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.54
Rot. Bonds5

About 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 61104390) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID61104390
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCc1noc(CNCc2ccc(F)c(-c3cccs3)c2)n1
InChIInChI=1S/C15H14FN3OS/c1-10-18-15(20-19-10)9-17-8-11-4-5-13(16)12(7-11)14-3-2-6-21-14/h2-7,17H,8-9H2,1H3
InChIKeyFVSOSCCDDHQRQJ-UHFFFAOYSA-N
XLogP3.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine 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 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 61104390) is 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is Cc1noc(CNCc2ccc(F)c(-c3cccs3)c2)n1.
What is the InChIKey of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is FVSOSCCDDHQRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-10-18-15(20-19-10)9-17-8-11-4-5-13(16)12(7-11)14-3-2-6-21-14/h2-7,17H,8-9H2,1H3.
What are the key properties of 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 303.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 61104390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).