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

C12H12Cl2N2O — CID 65179221

IUPACN-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C12H12Cl2N2O/c1-2-15-7-11-16-6-10(17-11)8-4-3-5-9(13)12(8)14/h3-6,15H,2,7H2,1H3
InChIKeyYBHKNNOQOJUNIH-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.76
Rot. Bonds4

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

N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 65179221) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID65179221
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC NameN-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C12H12Cl2N2O/c1-2-15-7-11-16-6-10(17-11)8-4-3-5-9(13)12(8)14/h3-6,15H,2,7H2,1H3
InChIKeyYBHKNNOQOJUNIH-UHFFFAOYSA-N
XLogP3.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181406
[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine
CID 65179957
2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 81263080
N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81460936
N-[[5-(4-chloro-2,5-difluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 82773672
N-[[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65183933
N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 107994680
N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81461243
1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
CID 3049278
N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 107966691
2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182949
N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 54516373

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 65179221) is N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is YBHKNNOQOJUNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-2-15-7-11-16-6-10(17-11)8-4-3-5-9(13)12(8)14/h3-6,15H,2,7H2,1H3.
What are the key properties of N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 271.15 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 65179221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).