2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine

C13H15ClN2O2 — CID 95471843

IUPAC2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCOc1ccc(-c2cnc(CCN)o2)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-2-17-11-4-3-9(7-10(11)14)12-8-16-13(18-12)5-6-15/h3-4,7-8H,2,5-6,15H2,1H3
InChIKeyZLZXDSINTOVPNL-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.89
Rot. Bonds5

About 2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine

2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 95471843) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID95471843
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCOc1ccc(-c2cnc(CCN)o2)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-2-17-11-4-3-9(7-10(11)14)12-8-16-13(18-12)5-6-15/h3-4,7-8H,2,5-6,15H2,1H3
InChIKeyZLZXDSINTOVPNL-UHFFFAOYSA-N
XLogP2.89
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 82298313
[5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179555
2-(3-chloropropyl)-5-(3,4-diethoxyphenyl)-1,3-oxazole
CID 65179824
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179184
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654
2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 115354580
2-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183235
[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179378
4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831819
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187301

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine (CID 95471843) is 2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine is CCOc1ccc(-c2cnc(CCN)o2)cc1Cl.
What is the InChIKey of 2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is ZLZXDSINTOVPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-2-17-11-4-3-9(7-10(11)14)12-8-16-13(18-12)5-6-15/h3-4,7-8H,2,5-6,15H2,1H3.
What are the key properties of 2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 266.73 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 95471843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).