5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol

C14H18N2O3 — CID 106370137

IUPAC5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol
SMILESCOc1ccc(C(C)NCc2ncc(C)o2)c(O)c1
InChIInChI=1S/C14H18N2O3/c1-9-7-16-14(19-9)8-15-10(2)12-5-4-11(18-3)6-13(12)17/h4-7,10,15,17H,8H2,1-3H3
InChIKeyNYLCPTLXZUDTAQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.55
Rot. Bonds5

About 5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol

5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol (PubChem CID 106370137) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol
PubChem CID106370137
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol
SMILESCOc1ccc(C(C)NCc2ncc(C)o2)c(O)c1
InChIInChI=1S/C14H18N2O3/c1-9-7-16-14(19-9)8-15-10(2)12-5-4-11(18-3)6-13(12)17/h4-7,10,15,17H,8H2,1-3H3
InChIKeyNYLCPTLXZUDTAQ-UHFFFAOYSA-N
XLogP2.55
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913154
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol
CID 106370039
5-methoxy-2-[1-[(2-methylpyrimidin-4-yl)methylamino]ethyl]phenol
CID 61015857
2-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-5-methoxyphenol
CID 65246248
2-hydroxy-4-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 103722993
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 75483118
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol
CID 64682826
1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913115
1-(2,4-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913157

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol (CID 106370137) is 5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol is COc1ccc(C(C)NCc2ncc(C)o2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol?
The InChIKey is NYLCPTLXZUDTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-7-16-14(19-9)8-15-10(2)12-5-4-11(18-3)6-13(12)17/h4-7,10,15,17H,8H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol?
5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol has a molecular weight of 262.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 106370137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).