(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine

C13H16N2O2 — CID 55190081

IUPAC(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCc1ccno1
InChIInChI=1S/C13H16N2O2/c1-2-12(14)11-5-3-4-6-13(11)16-9-10-7-8-15-17-10/h3-8,12H,2,9,14H2,1H3/t12-/m1/s1
InChIKeyHPEOMCBGRCLYJI-GFCCVEGCSA-N
MW232.28 g/mol
LogP2.66
Rot. Bonds5

About (1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine

(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine (PubChem CID 55190081) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
PubChem CID55190081
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCc1ccno1
InChIInChI=1S/C13H16N2O2/c1-2-12(14)11-5-3-4-6-13(11)16-9-10-7-8-15-17-10/h3-8,12H,2,9,14H2,1H3/t12-/m1/s1
InChIKeyHPEOMCBGRCLYJI-GFCCVEGCSA-N
XLogP2.66
TPSA61.28 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 60882098
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 18071110
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 30070823
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 61494511
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960
1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
CID 60878650
1-(2-ethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103913113
(1S)-1-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-amine
CID 78933043
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine (CID 55190081) is (1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1OCc1ccno1.
What is the InChIKey of (1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine?
The InChIKey is HPEOMCBGRCLYJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-12(14)11-5-3-4-6-13(11)16-9-10-7-8-15-17-10/h3-8,12H,2,9,14H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine?
(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine has a molecular weight of 232.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 55190081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).