1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine

C13H15ClN2O2 — CID 55072783

IUPAC1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COCc2ccccc2Cl)on1
InChIInChI=1S/C13H15ClN2O2/c1-15-7-11-6-12(18-16-11)9-17-8-10-4-2-3-5-13(10)14/h2-6,15H,7-9H2,1H3
InChIKeyUPUVANZUBUIBBM-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.76
Rot. Bonds6

About 1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine

1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 55072783) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID55072783
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COCc2ccccc2Cl)on1
InChIInChI=1S/C13H15ClN2O2/c1-15-7-11-6-12(18-16-11)9-17-8-10-4-2-3-5-13(10)14/h2-6,15H,7-9H2,1H3
InChIKeyUPUVANZUBUIBBM-UHFFFAOYSA-N
XLogP2.76
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 61397623
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63586476
1-[5-[(2,5-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55077884
1-[5-(3,3-dimethylbutoxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 66226402
N-[[5-[(2-bromophenyl)methoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 82826186
N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
CID 142762944
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine
CID 55077964
2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine
CID 115464549
N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62411380
1-[1-[2-[(2-chlorophenyl)methoxy]ethyl]triazol-4-yl]-N-methylmethanamine
CID 62445319
[4-[(2-chlorophenyl)methoxymethyl]phenyl]-trimethylsilane
CID 103438617

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine (CID 55072783) is 1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine is CNCc1cc(COCc2ccccc2Cl)on1.
What is the InChIKey of 1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is UPUVANZUBUIBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-15-7-11-6-12(18-16-11)9-17-8-10-4-2-3-5-13(10)14/h2-6,15H,7-9H2,1H3.
What are the key properties of 1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 266.73 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 55072783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).