1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine

C16H22N2O3 — CID 60908446

IUPAC1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)ccc1OCc1cc(C)no1
InChIInChI=1S/C16H22N2O3/c1-4-19-16-9-13(7-11(2)17)5-6-15(16)20-10-14-8-12(3)18-21-14/h5-6,8-9,11H,4,7,10,17H2,1-3H3
InChIKeyHAFBUMBZKLJDII-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.85
Rot. Bonds7

About 1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine

1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine (PubChem CID 60908446) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine
PubChem CID60908446
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)ccc1OCc1cc(C)no1
InChIInChI=1S/C16H22N2O3/c1-4-19-16-9-13(7-11(2)17)5-6-15(16)20-10-14-8-12(3)18-21-14/h5-6,8-9,11H,4,7,10,17H2,1-3H3
InChIKeyHAFBUMBZKLJDII-UHFFFAOYSA-N
XLogP2.85
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[5-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 63367192
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 55189227
1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105521
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60883561
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483230
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65181053
1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 43503944
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 63365820
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 115401922

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine (CID 60908446) is 1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine is CCOc1cc(CC(C)N)ccc1OCc1cc(C)no1.
What is the InChIKey of 1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is HAFBUMBZKLJDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-19-16-9-13(7-11(2)17)5-6-15(16)20-10-14-8-12(3)18-21-14/h5-6,8-9,11H,4,7,10,17H2,1-3H3.
What are the key properties of 1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine?
1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 290.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 60908446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).