1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine

C12H14N2O2 — CID 60870530

IUPAC1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1cccc(OCc2cnoc2)c1
InChIInChI=1S/C12H14N2O2/c1-9(13)11-3-2-4-12(5-11)15-7-10-6-14-16-8-10/h2-6,8-9H,7,13H2,1H3
InChIKeyJNXFWLRUPOOXSW-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.27
Rot. Bonds4

About 1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine

1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine (PubChem CID 60870530) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
PubChem CID60870530
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1cccc(OCc2cnoc2)c1
InChIInChI=1S/C12H14N2O2/c1-9(13)11-3-2-4-12(5-11)15-7-10-6-14-16-8-10/h2-6,8-9H,7,13H2,1H3
InChIKeyJNXFWLRUPOOXSW-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
CID 82918244
3-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 60871497
(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 78930712
3-[[3-[(1S)-1-aminoethyl]phenoxy]methyl]benzonitrile
CID 55190628
(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78937299
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887242
(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
CID 55190446
(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66139527

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine (CID 60870530) is 1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine is CC(N)c1cccc(OCc2cnoc2)c1.
What is the InChIKey of 1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine?
The InChIKey is JNXFWLRUPOOXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(13)11-3-2-4-12(5-11)15-7-10-6-14-16-8-10/h2-6,8-9H,7,13H2,1H3.
What are the key properties of 1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine?
1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine has a molecular weight of 218.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 60870530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).