2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine

C12H12ClFN2O — CID 82482086

IUPAC2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
SMILESCc1noc(-c2cc(Cl)ccc2F)c1CCN
InChIInChI=1S/C12H12ClFN2O/c1-7-9(4-5-15)12(17-16-7)10-6-8(13)2-3-11(10)14/h2-3,6H,4-5,15H2,1H3
InChIKeyZFTIMKXHLWVWAW-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.94
Rot. Bonds3

About 2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine

2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine (PubChem CID 82482086) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
PubChem CID82482086
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
SMILESCc1noc(-c2cc(Cl)ccc2F)c1CCN
InChIInChI=1S/C12H12ClFN2O/c1-7-9(4-5-15)12(17-16-7)10-6-8(13)2-3-11(10)14/h2-3,6H,4-5,15H2,1H3
InChIKeyZFTIMKXHLWVWAW-UHFFFAOYSA-N
XLogP2.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine 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

2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 82487138
2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 96669709
5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66200636
5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411963
5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198080
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82481340
2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 82477362
5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411950
2-[1-(3-chloro-4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 82092416
[5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82483679
5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555471

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine (CID 82482086) is 2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine is Cc1noc(-c2cc(Cl)ccc2F)c1CCN.
What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine?
The InChIKey is ZFTIMKXHLWVWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-7-9(4-5-15)12(17-16-7)10-6-8(13)2-3-11(10)14/h2-3,6H,4-5,15H2,1H3.
What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine?
2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine has a molecular weight of 254.69 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine is sourced from PubChem (CID 82482086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).