1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine

C12H13ClN2O2 — CID 114420281

IUPAC1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine
SMILESCOc1cccc(Cl)c1-c1cc(C(C)N)on1
InChIInChI=1S/C12H13ClN2O2/c1-7(14)11-6-9(15-17-11)12-8(13)4-3-5-10(12)16-2/h3-7H,14H2,1-2H3
InChIKeyQCXDFNIPQYHDGB-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.02
Rot. Bonds3

About 1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine

1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine (PubChem CID 114420281) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine
PubChem CID114420281
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine
SMILESCOc1cccc(Cl)c1-c1cc(C(C)N)on1
InChIInChI=1S/C12H13ClN2O2/c1-7(14)11-6-9(15-17-11)12-8(13)4-3-5-10(12)16-2/h3-7H,14H2,1-2H3
InChIKeyQCXDFNIPQYHDGB-UHFFFAOYSA-N
XLogP3.02
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine (CID 114420281) is 1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine is COc1cccc(Cl)c1-c1cc(C(C)N)on1.
What is the InChIKey of 1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine?
The InChIKey is QCXDFNIPQYHDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-7(14)11-6-9(15-17-11)12-8(13)4-3-5-10(12)16-2/h3-7H,14H2,1-2H3.
What are the key properties of 1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine?
1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine has a molecular weight of 252.70 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 114420281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).