2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine

C13H14ClFN2O — CID 81263080

IUPAC2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1ncc(-c2cccc(Cl)c2F)o1
InChIInChI=1S/C13H14ClFN2O/c1-2-16-7-6-12-17-8-11(18-12)9-4-3-5-10(14)13(9)15/h3-5,8,16H,2,6-7H2,1H3
InChIKeyNYGFHDRMBYFXCQ-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.29
Rot. Bonds5

About 2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine

2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine (PubChem CID 81263080) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
PubChem CID81263080
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1ncc(-c2cccc(Cl)c2F)o1
InChIInChI=1S/C13H14ClFN2O/c1-2-16-7-6-12-17-8-11(18-12)9-4-3-5-10(14)13(9)15/h3-5,8,16H,2,6-7H2,1H3
InChIKeyNYGFHDRMBYFXCQ-UHFFFAOYSA-N
XLogP3.29
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182949
2-[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183095
N-ethyl-2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182800
N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183054
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179221
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004
2-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 82817976
2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994739
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187402
N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 81461939
3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 107100477
N-[[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81478338

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The IUPAC name of 2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine (CID 81263080) is 2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine is CCNCCc1ncc(-c2cccc(Cl)c2F)o1.
What is the InChIKey of 2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The InChIKey is NYGFHDRMBYFXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-2-16-7-6-12-17-8-11(18-12)9-4-3-5-10(14)13(9)15/h3-5,8,16H,2,6-7H2,1H3.
What are the key properties of 2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine has a molecular weight of 268.72 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 81263080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).