1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

C15H20N2O2 — CID 103096722

IUPAC1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2ncc(CC)o2)c1
InChIInChI=1S/C15H20N2O2/c1-3-13-10-17-15(19-13)11-16-9-12-6-5-7-14(8-12)18-4-2/h5-8,10,16H,3-4,9,11H2,1-2H3
InChIKeyVDASGJLLAMTGTG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.93
Rot. Bonds7

About 1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103096722) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103096722
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCOc1cccc(CNCc2ncc(CC)o2)c1
InChIInChI=1S/C15H20N2O2/c1-3-13-10-17-15(19-13)11-16-9-12-6-5-7-14(8-12)18-4-2/h5-8,10,16H,3-4,9,11H2,1-2H3
InChIKeyVDASGJLLAMTGTG-UHFFFAOYSA-N
XLogP2.93
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 106371023
4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol
CID 106369147
1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275113
2-[3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 106370104
1-(3-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106394000
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 104969494
1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63001902

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103096722) is 1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is CCOc1cccc(CNCc2ncc(CC)o2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is VDASGJLLAMTGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-13-10-17-15(19-13)11-16-9-12-6-5-7-14(8-12)18-4-2/h5-8,10,16H,3-4,9,11H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103096722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).