1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

C16H22N2O2 — CID 62458220

IUPAC1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCCC(C)c1ccccc1OCc1cc(CNC)no1
InChIInChI=1S/C16H22N2O2/c1-4-12(2)15-7-5-6-8-16(15)19-11-14-9-13(10-17-3)18-20-14/h5-9,12,17H,4,10-11H2,1-3H3
InChIKeyFLSKXWGOYYPOSL-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.49
Rot. Bonds7

About 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 62458220) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID62458220
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCCC(C)c1ccccc1OCc1cc(CNC)no1
InChIInChI=1S/C16H22N2O2/c1-4-12(2)15-7-5-6-8-16(15)19-11-14-9-13(10-17-3)18-20-14/h5-9,12,17H,4,10-11H2,1-3H3
InChIKeyFLSKXWGOYYPOSL-UHFFFAOYSA-N
XLogP3.49
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62459429
N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62454563
1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62450192
(1S)-1-[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
CID 66190143
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62440455
1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62454455
N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62442813
1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 43503944
5-[(2-butan-2-ylphenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620735
[2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259305
2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80663952

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (CID 62458220) is 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is CCC(C)c1ccccc1OCc1cc(CNC)no1.
What is the InChIKey of 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is FLSKXWGOYYPOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-12(2)15-7-5-6-8-16(15)19-11-14-9-13(10-17-3)18-20-14/h5-9,12,17H,4,10-11H2,1-3H3.
What are the key properties of 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 274.36 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62458220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).