1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

C15H20N2O3 — CID 62485184

IUPAC1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2ccc(CCOC)cc2)on1
InChIInChI=1S/C15H20N2O3/c1-16-10-13-9-15(20-17-13)11-19-14-5-3-12(4-6-14)7-8-18-2/h3-6,9,16H,7-8,10-11H2,1-2H3
InChIKeyQSGYMJQRSCTREC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.16
Rot. Bonds8

About 1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 62485184) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID62485184
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2ccc(CCOC)cc2)on1
InChIInChI=1S/C15H20N2O3/c1-16-10-13-9-15(20-17-13)11-19-14-5-3-12(4-6-14)7-8-18-2/h3-6,9,16H,7-8,10-11H2,1-2H3
InChIKeyQSGYMJQRSCTREC-UHFFFAOYSA-N
XLogP2.16
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62442813
N-[[5-[(4-propylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62548925
1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62454455
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine
CID 66157018
N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459576
N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine
CID 55077964
1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157214
2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63063411
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62450192
N-[[5-[(4-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62454411

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (CID 62485184) is 1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is CNCc1cc(COc2ccc(CCOC)cc2)on1.
What is the InChIKey of 1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is QSGYMJQRSCTREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16-10-13-9-15(20-17-13)11-19-14-5-3-12(4-6-14)7-8-18-2/h3-6,9,16H,7-8,10-11H2,1-2H3.
What are the key properties of 1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 276.34 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62485184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).