2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol

C19H20N2O2 — CID 42330263

IUPAC2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol
SMILESCc1cc(CN(C)Cc2cc(-c3ccccc3)ccc2O)on1
InChIInChI=1S/C19H20N2O2/c1-14-10-18(23-20-14)13-21(2)12-17-11-16(8-9-19(17)22)15-6-4-3-5-7-15/h3-11,22H,12-13H2,1-2H3
InChIKeyAOWZLEYMZPOOMD-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.99
Rot. Bonds5

About 2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol

2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol (PubChem CID 42330263) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol.

Molecular Properties

Compound Name2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol
PubChem CID42330263
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol
SMILESCc1cc(CN(C)Cc2cc(-c3ccccc3)ccc2O)on1
InChIInChI=1S/C19H20N2O2/c1-14-10-18(23-20-14)13-21(2)12-17-11-16(8-9-19(17)22)15-6-4-3-5-7-15/h3-11,22H,12-13H2,1-2H3
InChIKeyAOWZLEYMZPOOMD-UHFFFAOYSA-N
XLogP3.99
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol?
The IUPAC name of 2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol (CID 42330263) is 2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol.
What is the SMILES notation for 2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol?
The canonical SMILES for 2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol is Cc1cc(CN(C)Cc2cc(-c3ccccc3)ccc2O)on1.
What is the InChIKey of 2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol?
The InChIKey is AOWZLEYMZPOOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-10-18(23-20-14)13-21(2)12-17-11-16(8-9-19(17)22)15-6-4-3-5-7-15/h3-11,22H,12-13H2,1-2H3.
What are the key properties of 2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol?
2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol has a molecular weight of 308.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol is sourced from PubChem (CID 42330263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).