1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine

C15H20N2O3 — CID 112724642

IUPAC1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
SMILESCOc1ccc(OC)c(CNCc2c(C)noc2C)c1
InChIInChI=1S/C15H20N2O3/c1-10-14(11(2)20-17-10)9-16-8-12-7-13(18-3)5-6-15(12)19-4/h5-7,16H,8-9H2,1-4H3
InChIKeyZXAHZUCWERZZEA-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.60
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine

1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine (PubChem CID 112724642) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
PubChem CID112724642
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
SMILESCOc1ccc(OC)c(CNCc2c(C)noc2C)c1
InChIInChI=1S/C15H20N2O3/c1-10-14(11(2)20-17-10)9-16-8-12-7-13(18-3)5-6-15(12)19-4/h5-7,16H,8-9H2,1-4H3
InChIKeyZXAHZUCWERZZEA-UHFFFAOYSA-N
XLogP2.60
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine (CID 112724642) is 1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine is COc1ccc(OC)c(CNCc2c(C)noc2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine?
The InChIKey is ZXAHZUCWERZZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-14(11(2)20-17-10)9-16-8-12-7-13(18-3)5-6-15(12)19-4/h5-7,16H,8-9H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine?
1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine has a molecular weight of 276.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 112724642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).