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

C17H16N2O2 — CID 114420236

IUPAC1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine
SMILESCC(N)c1cc(-c2cccc(Oc3ccccc3)c2)no1
InChIInChI=1S/C17H16N2O2/c1-12(18)17-11-16(19-21-17)13-6-5-9-15(10-13)20-14-7-3-2-4-8-14/h2-12H,18H2,1H3
InChIKeyJPLMORDBRQUCBS-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.15
Rot. Bonds4

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

1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine (PubChem CID 114420236) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine
PubChem CID114420236
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine
SMILESCC(N)c1cc(-c2cccc(Oc3ccccc3)c2)no1
InChIInChI=1S/C17H16N2O2/c1-12(18)17-11-16(19-21-17)13-6-5-9-15(10-13)20-14-7-3-2-4-8-14/h2-12H,18H2,1H3
InChIKeyJPLMORDBRQUCBS-UHFFFAOYSA-N
XLogP4.15
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine
CID 114420287
6-(3-phenoxyphenyl)pyrimidin-4-amine
CID 152697085
1-(3-pyridin-2-yl-1,2-oxazol-5-yl)ethanamine
CID 82404680
1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea
CID 167970004
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
3-(3-methoxyphenyl)-N-methyl-1,2-oxazol-5-amine
CID 134400305
N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 56720297
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024
5-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3-phenoxyphenyl)-1,2-oxazole
CID 142647992
1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326230
1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine
CID 114420281
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596785

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine (CID 114420236) is 1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine is CC(N)c1cc(-c2cccc(Oc3ccccc3)c2)no1.
What is the InChIKey of 1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine?
The InChIKey is JPLMORDBRQUCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(18)17-11-16(19-21-17)13-6-5-9-15(10-13)20-14-7-3-2-4-8-14/h2-12H,18H2,1H3.
What are the key properties of 1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine?
1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine has a molecular weight of 280.33 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-phenoxyphenyl)-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 114420236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).