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

C15H20N2O2 — CID 106370332

IUPAC4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CNCc2nc(C)c(C)o2)cc(C)c1O
InChIInChI=1S/C15H20N2O2/c1-9-5-13(6-10(2)15(9)18)7-16-8-14-17-11(3)12(4)19-14/h5-6,16,18H,7-8H2,1-4H3
InChIKeyGPZRWTINNAPJFQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.90
Rot. Bonds4

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

4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol (PubChem CID 106370332) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol
PubChem CID106370332
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CNCc2nc(C)c(C)o2)cc(C)c1O
InChIInChI=1S/C15H20N2O2/c1-9-5-13(6-10(2)15(9)18)7-16-8-14-17-11(3)12(4)19-14/h5-6,16,18H,7-8H2,1-4H3
InChIKeyGPZRWTINNAPJFQ-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol with MolForge

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Related Compounds

1-(3,5-dibromo-4-methoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673066
1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103820215
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54882211
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106370288
2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28889201
1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673286
2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732273
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,5-dimethylpyrazol-3-yl)methanamine
CID 114180444
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 102673240
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetonitrile
CID 106372653
4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-3-methylbenzonitrile
CID 106372512

Frequently Asked Questions

What is the IUPAC name of 4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol (CID 106370332) is 4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol is Cc1cc(CNCc2nc(C)c(C)o2)cc(C)c1O.
What is the InChIKey of 4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol?
The InChIKey is GPZRWTINNAPJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-5-13(6-10(2)15(9)18)7-16-8-14-17-11(3)12(4)19-14/h5-6,16,18H,7-8H2,1-4H3.
What are the key properties of 4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol?
4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol has a molecular weight of 260.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 106370332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).