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

C13H15ClN2O2 — CID 82487138

IUPAC2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
SMILESCOc1ccc(-c2onc(C)c2CCN)c(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c1-8-10(5-6-15)13(18-16-8)11-4-3-9(17-2)7-12(11)14/h3-4,7H,5-6,15H2,1-2H3
InChIKeyFGURQZZWPKNBLQ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.81
Rot. Bonds4

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

2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine (PubChem CID 82487138) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
PubChem CID82487138
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
SMILESCOc1ccc(-c2onc(C)c2CCN)c(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c1-8-10(5-6-15)13(18-16-8)11-4-3-9(17-2)7-12(11)14/h3-4,7H,5-6,15H2,1-2H3
InChIKeyFGURQZZWPKNBLQ-UHFFFAOYSA-N
XLogP2.81
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 82482086
5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid
CID 118514715
[5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868254
2-(2,6-dichloro-4-methoxyphenyl)ethanamine
CID 82616097
2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 96669709
3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117386929
[5-(2-chloro-4-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481633
[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine
CID 141399848
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302127
[5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82479432
3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
CID 117331589

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine (CID 82487138) is 2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine is COc1ccc(-c2onc(C)c2CCN)c(Cl)c1.
What is the InChIKey of 2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine?
The InChIKey is FGURQZZWPKNBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-10(5-6-15)13(18-16-8)11-4-3-9(17-2)7-12(11)14/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine?
2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine has a molecular weight of 266.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine is sourced from PubChem (CID 82487138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).