2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine

C11H10Cl2N2O — CID 116642410

IUPAC2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine
SMILESNCCc1cc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C11H10Cl2N2O/c12-8-3-7(4-9(13)5-8)11-6-10(1-2-14)16-15-11/h3-6H,1-2,14H2
InChIKeyFHNMRPRCKHTSNH-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.15
Rot. Bonds3

About 2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine

2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine (PubChem CID 116642410) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine
PubChem CID116642410
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine
SMILESNCCc1cc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C11H10Cl2N2O/c12-8-3-7(4-9(13)5-8)11-6-10(1-2-14)16-15-11/h3-6H,1-2,14H2
InChIKeyFHNMRPRCKHTSNH-UHFFFAOYSA-N
XLogP3.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine
CID 116642403
4-[5-(2-aminoethyl)-1,2-oxazol-3-yl]-2-chlorobenzonitrile
CID 67168307
2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
CID 116642488
2-(3-bromo-1,2-oxazol-5-yl)ethanamine
CID 53407331
2-(3-naphthalen-1-yl-1,2-oxazol-5-yl)ethanamine
CID 116642434
2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine
CID 116642504
3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374656
2-(3-cyclopentyl-1,2-oxazol-5-yl)ethanamine
CID 82408902
2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine
CID 83845883
[3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine
CID 106818757
2-(3,5-dichlorophenyl)ethanamine
CID 15670830
2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
CID 116642485

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine (CID 116642410) is 2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine is NCCc1cc(-c2cc(Cl)cc(Cl)c2)no1.
What is the InChIKey of 2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine?
The InChIKey is FHNMRPRCKHTSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-8-3-7(4-9(13)5-8)11-6-10(1-2-14)16-15-11/h3-6H,1-2,14H2.
What are the key properties of 2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine?
2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine has a molecular weight of 257.12 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 116642410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).