2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol

C15H20N2O2 — CID 112554882

IUPAC2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol
SMILESCc1cccc(CNC(C)c2c(C)noc2C)c1O
InChIInChI=1S/C15H20N2O2/c1-9-6-5-7-13(15(9)18)8-16-10(2)14-11(3)17-19-12(14)4/h5-7,10,16,18H,8H2,1-4H3
InChIKeyLACRRVOTQIDBHW-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.16
Rot. Bonds4

About 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol

2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol (PubChem CID 112554882) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol
PubChem CID112554882
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol
SMILESCc1cccc(CNC(C)c2c(C)noc2C)c1O
InChIInChI=1S/C15H20N2O2/c1-9-6-5-7-13(15(9)18)8-16-10(2)14-11(3)17-19-12(14)4/h5-7,10,16,18H,8H2,1-4H3
InChIKeyLACRRVOTQIDBHW-UHFFFAOYSA-N
XLogP3.16
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 79236645
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-methylphenol
CID 78961384
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol
CID 103948779
2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 112553988
2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 115904447
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78961689
2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 79231338
N-[(3-chloro-4-pyridinyl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79241523
2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 103940711
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 78992623
2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol
CID 103940654
N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide
CID 78961627

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol?
The IUPAC name of 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol (CID 112554882) is 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol?
The canonical SMILES for 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol is Cc1cccc(CNC(C)c2c(C)noc2C)c1O.
What is the InChIKey of 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol?
The InChIKey is LACRRVOTQIDBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-6-5-7-13(15(9)18)8-16-10(2)14-11(3)17-19-12(14)4/h5-7,10,16,18H,8H2,1-4H3.
What are the key properties of 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol?
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol has a molecular weight of 260.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol is sourced from PubChem (CID 112554882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).