2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine

C14H16BrClN2O2 — CID 107941918

IUPAC2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1ncc(-c2cc(Cl)cc(Br)c2)o1
InChIInChI=1S/C14H16BrClN2O2/c1-19-5-4-17-3-2-14-18-9-13(20-14)10-6-11(15)8-12(16)7-10/h6-9,17H,2-5H2,1H3
InChIKeyJOOBMXFCHBUXBQ-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.54
Rot. Bonds7

About 2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine

2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 107941918) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID107941918
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1ncc(-c2cc(Cl)cc(Br)c2)o1
InChIInChI=1S/C14H16BrClN2O2/c1-19-5-4-17-3-2-14-18-9-13(20-14)10-6-11(15)8-12(16)7-10/h6-9,17H,2-5H2,1H3
InChIKeyJOOBMXFCHBUXBQ-UHFFFAOYSA-N
XLogP3.54
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3,5-dibromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 107975815
3-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 107941923
2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107952761
2-[5-(5-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182663
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690356
3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65185146
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182714
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690357
2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182090
3-[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 81475753
2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182137
3-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 107966754

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine (CID 107941918) is 2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine is COCCNCCc1ncc(-c2cc(Cl)cc(Br)c2)o1.
What is the InChIKey of 2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is JOOBMXFCHBUXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-19-5-4-17-3-2-14-18-9-13(20-14)10-6-11(15)8-12(16)7-10/h6-9,17H,2-5H2,1H3.
What are the key properties of 2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 359.65 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 107941918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).