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

C12H14N2O2 — CID 18071419

IUPAC2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine
SMILESCOc1ccc(-c2nc(CCN)co2)cc1
InChIInChI=1S/C12H14N2O2/c1-15-11-4-2-9(3-5-11)12-14-10(6-7-13)8-16-12/h2-5,8H,6-7,13H2,1H3
InChIKeyWDZAPDWVDUZWOV-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.85
Rot. Bonds4

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

2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 18071419) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine
PubChem CID18071419
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine
SMILESCOc1ccc(-c2nc(CCN)co2)cc1
InChIInChI=1S/C12H14N2O2/c1-15-11-4-2-9(3-5-11)12-14-10(6-7-13)8-16-12/h2-5,8H,6-7,13H2,1H3
InChIKeyWDZAPDWVDUZWOV-UHFFFAOYSA-N
XLogP1.85
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine (CID 18071419) is 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine is COc1ccc(-c2nc(CCN)co2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is WDZAPDWVDUZWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-11-4-2-9(3-5-11)12-14-10(6-7-13)8-16-12/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine?
2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 218.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 18071419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).