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

C14H18N2O2 — CID 95732607

IUPAC2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine
SMILESCCCOc1ccc(-c2cc(CCN)no2)cc1
InChIInChI=1S/C14H18N2O2/c1-2-9-17-13-5-3-11(4-6-13)14-10-12(7-8-15)16-18-14/h3-6,10H,2,7-9,15H2,1H3
InChIKeyWFDSDVMNGJQBPI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.63
Rot. Bonds6

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

2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine (PubChem CID 95732607) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine
PubChem CID95732607
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine
SMILESCCCOc1ccc(-c2cc(CCN)no2)cc1
InChIInChI=1S/C14H18N2O2/c1-2-9-17-13-5-3-11(4-6-13)14-10-12(7-8-15)16-18-14/h3-6,10H,2,7-9,15H2,1H3
InChIKeyWFDSDVMNGJQBPI-UHFFFAOYSA-N
XLogP2.63
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-butoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 54846827
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96662742
N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 54846542
3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
CID 59226263
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine
CID 82072305
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine
CID 82477361
3-(4-methylphenyl)-5-(4-pentoxyphenyl)-1,2-oxazole
CID 122432767
5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
CID 80646468

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine (CID 95732607) is 2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine is CCCOc1ccc(-c2cc(CCN)no2)cc1.
What is the InChIKey of 2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine?
The InChIKey is WFDSDVMNGJQBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-9-17-13-5-3-11(4-6-13)14-10-12(7-8-15)16-18-14/h3-6,10H,2,7-9,15H2,1H3.
What are the key properties of 2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine?
2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine is sourced from PubChem (CID 95732607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).