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

C14H18N2O2 — CID 54882211

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2nc(C)c(C)o2)c1
InChIInChI=1S/C14H18N2O2/c1-10-11(2)18-14(16-10)9-15-8-12-5-4-6-13(7-12)17-3/h4-7,15H,8-9H2,1-3H3
InChIKeyZLRURGLDKBDQDR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.59
Rot. Bonds5

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine (PubChem CID 54882211) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine
PubChem CID54882211
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2nc(C)c(C)o2)c1
InChIInChI=1S/C14H18N2O2/c1-10-11(2)18-14(16-10)9-15-8-12-5-4-6-13(7-12)17-3/h4-7,15H,8-9H2,1-3H3
InChIKeyZLRURGLDKBDQDR-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-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
1-(3,5-dibromo-4-methoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673066
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
CID 109429456
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol
CID 106370332
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 62308041
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925
methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60649742
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine
CID 165111805

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine (CID 54882211) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine is COc1cccc(CNCc2nc(C)c(C)o2)c1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine?
The InChIKey is ZLRURGLDKBDQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-11(2)18-14(16-10)9-15-8-12-5-4-6-13(7-12)17-3/h4-7,15H,8-9H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine 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 N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 54882211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).