(1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine

C13H16N2O2 — CID 78937022

IUPAC(1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCc2ccno2)cc1
InChIInChI=1S/C13H16N2O2/c1-2-13(14)10-3-5-11(6-4-10)16-9-12-7-8-15-17-12/h3-8,13H,2,9,14H2,1H3/t13-/m1/s1
InChIKeyJBDGPJJLJPHHKT-CYBMUJFWSA-N
MW232.28 g/mol
LogP2.66
Rot. Bonds5

About (1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine

(1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine (PubChem CID 78937022) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
PubChem CID78937022
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCc2ccno2)cc1
InChIInChI=1S/C13H16N2O2/c1-2-13(14)10-3-5-11(6-4-10)16-9-12-7-8-15-17-12/h3-8,13H,2,9,14H2,1H3/t13-/m1/s1
InChIKeyJBDGPJJLJPHHKT-CYBMUJFWSA-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

(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 55190081
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 60877880
1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 60880329
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[4-[(1R)-1-aminopropyl]phenoxy]butan-2-ol
CID 78937019
(1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937135
(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 113389763
(1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
CID 63367781
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole
CID 78913027
(1S)-1-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 106262986
(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937230

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine (CID 78937022) is (1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine is CC[C@@H](N)c1ccc(OCc2ccno2)cc1.
What is the InChIKey of (1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine?
The InChIKey is JBDGPJJLJPHHKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-13(14)10-3-5-11(6-4-10)16-9-12-7-8-15-17-12/h3-8,13H,2,9,14H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine?
(1R)-1-[4-(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-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 78937022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).