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

C13H15ClN2O — CID 65183004

IUPAC2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C13H15ClN2O/c1-2-15-7-6-13-16-9-12(17-13)10-4-3-5-11(14)8-10/h3-5,8-9,15H,2,6-7H2,1H3
InChIKeySDPQUKONKHNOBV-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.15
Rot. Bonds5

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

2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine (PubChem CID 65183004) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
PubChem CID65183004
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C13H15ClN2O/c1-2-15-7-6-13-16-9-12(17-13)10-4-3-5-11(14)8-10/h3-5,8-9,15H,2,6-7H2,1H3
InChIKeySDPQUKONKHNOBV-UHFFFAOYSA-N
XLogP3.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.15
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

N-[2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182024
N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183399
2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182949
2-[5-(3-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994741
2-[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183095
2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994739
2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182798
3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187301
2-[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 81263080
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187402
3-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 107941923
N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183247

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The IUPAC name of 2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine (CID 65183004) is 2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine is CCNCCc1ncc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The InChIKey is SDPQUKONKHNOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-2-15-7-6-13-16-9-12(17-13)10-4-3-5-11(14)8-10/h3-5,8-9,15H,2,6-7H2,1H3.
What are the key properties of 2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine has a molecular weight of 250.73 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 65183004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).