1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine

C13H16N2O2 — CID 66243020

IUPAC1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cnco2)cc1
InChIInChI=1S/C13H16N2O2/c1-10(15-8-13-7-14-9-17-13)11-3-5-12(16-2)6-4-11/h3-7,9-10,15H,8H2,1-2H3
InChIKeyLVDCEMCAVWAMOA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.53
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine

1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine (PubChem CID 66243020) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
PubChem CID66243020
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cnco2)cc1
InChIInChI=1S/C13H16N2O2/c1-10(15-8-13-7-14-9-17-13)11-3-5-12(16-2)6-4-11/h3-7,9-10,15H,8H2,1-2H3
InChIKeyLVDCEMCAVWAMOA-UHFFFAOYSA-N
XLogP2.53
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371270
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
(1S)-1-(4-methoxyphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81370186
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 104865108
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042566
1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63001836
methyl 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367481
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
2-[[1-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 66417891

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine (CID 66243020) is 1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine is COc1ccc(C(C)NCc2cnco2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine?
The InChIKey is LVDCEMCAVWAMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(15-8-13-7-14-9-17-13)11-3-5-12(16-2)6-4-11/h3-7,9-10,15H,8H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine?
1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine has a molecular weight of 232.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 66243020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).