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

C14H18N2O2 — CID 62454455

IUPAC1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2cc(C)cc(C)c2)on1
InChIInChI=1S/C14H18N2O2/c1-10-4-11(2)6-13(5-10)17-9-14-7-12(8-15-3)16-18-14/h4-7,15H,8-9H2,1-3H3
InChIKeyHDLUNANHTMEPFQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.59
Rot. Bonds5

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

1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 62454455) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID62454455
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2cc(C)cc(C)c2)on1
InChIInChI=1S/C14H18N2O2/c1-10-4-11(2)6-13(5-10)17-9-14-7-12(8-15-3)16-18-14/h4-7,15H,8-9H2,1-3H3
InChIKeyHDLUNANHTMEPFQ-UHFFFAOYSA-N
XLogP2.59
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62442813
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62453412
1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62485184
N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62454563
N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62462339
N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62450192
1-[5-[(2,5-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55077884
2-methyl-N-[[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62443200
1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 102723207
1-[5-(3,3-dimethylbutoxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 66226402

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (CID 62454455) is 1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is CNCc1cc(COc2cc(C)cc(C)c2)on1.
What is the InChIKey of 1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is HDLUNANHTMEPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-4-11(2)6-13(5-10)17-9-14-7-12(8-15-3)16-18-14/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62454455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).