N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

C15H20N2O2 — CID 62450321

IUPACN-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2cccc(CC)c2)on1
InChIInChI=1S/C15H20N2O2/c1-3-12-6-5-7-14(8-12)18-11-15-9-13(17-19-15)10-16-4-2/h5-9,16H,3-4,10-11H2,1-2H3
InChIKeyNPPZZCIGUDUZQD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.93
Rot. Bonds7

About N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62450321) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62450321
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2cccc(CC)c2)on1
InChIInChI=1S/C15H20N2O2/c1-3-12-6-5-7-14(8-12)18-11-15-9-13(17-19-15)10-16-4-2/h5-9,16H,3-4,10-11H2,1-2H3
InChIKeyNPPZZCIGUDUZQD-UHFFFAOYSA-N
XLogP2.93
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[[3-(methoxymethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63985026
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
N-[[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 107668507
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62486332
N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 131927940
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157214
N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 60881291
N-[[5-[(4-propylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62548925

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 62450321) is N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(COc2cccc(CC)c2)on1.
What is the InChIKey of N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is NPPZZCIGUDUZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-12-6-5-7-14(8-12)18-11-15-9-13(17-19-15)10-16-4-2/h5-9,16H,3-4,10-11H2,1-2H3.
What are the key properties of N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62450321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).