1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine

C14H18N2O2 — CID 115083796

IUPAC1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1coc(Cc2cccc(OC)c2)n1
InChIInChI=1S/C14H18N2O2/c1-10(15-2)13-9-18-14(16-13)8-11-5-4-6-12(7-11)17-3/h4-7,9-10,15H,8H2,1-3H3
InChIKeyFXZBYJCPIGTTMZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.55
Rot. Bonds5

About 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine

1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine (PubChem CID 115083796) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine
PubChem CID115083796
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1coc(Cc2cccc(OC)c2)n1
InChIInChI=1S/C14H18N2O2/c1-10(15-2)13-9-18-14(16-13)8-11-5-4-6-12(7-11)17-3/h4-7,9-10,15H,8H2,1-3H3
InChIKeyFXZBYJCPIGTTMZ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115083702
1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine
CID 115083827
2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115083847
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 62627840
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653786
N-[[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79274026
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole
CID 123620380
N-ethyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62852078
3-(4,4-dimethylpentyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 59405227
6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62319868
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 61262732

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine (CID 115083796) is 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine is CNC(C)c1coc(Cc2cccc(OC)c2)n1.
What is the InChIKey of 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine?
The InChIKey is FXZBYJCPIGTTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(15-2)13-9-18-14(16-13)8-11-5-4-6-12(7-11)17-3/h4-7,9-10,15H,8H2,1-3H3.
What are the key properties of 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine?
1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 115083796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).