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

C14H17BrN2O3 — CID 78975030

IUPAC2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol
SMILESCOc1cc(CNCc2c(C)noc2C)cc(Br)c1O
InChIInChI=1S/C14H17BrN2O3/c1-8-11(9(2)20-17-8)7-16-6-10-4-12(15)14(18)13(5-10)19-3/h4-5,16,18H,6-7H2,1-3H3
InChIKeyCWJMOJRXNZRTOR-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.06
Rot. Bonds5

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

2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol (PubChem CID 78975030) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol
PubChem CID78975030
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol
SMILESCOc1cc(CNCc2c(C)noc2C)cc(Br)c1O
InChIInChI=1S/C14H17BrN2O3/c1-8-11(9(2)20-17-8)7-16-6-10-4-12(15)14(18)13(5-10)19-3/h4-5,16,18H,6-7H2,1-3H3
InChIKeyCWJMOJRXNZRTOR-UHFFFAOYSA-N
XLogP3.06
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 62523498
1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 112724642
1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 115579772
N-[[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 63044984
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol
CID 55162656
2-bromo-6-methoxy-4-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]phenol
CID 54884828
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyaniline
CID 63997036
2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
CID 63726270
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid
CID 43139962
2-bromo-6-methoxy-4-[(pent-3-ynylamino)methyl]phenol
CID 116642924
2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol
CID 29292955

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol (CID 78975030) is 2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol is COc1cc(CNCc2c(C)noc2C)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol?
The InChIKey is CWJMOJRXNZRTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-8-11(9(2)20-17-8)7-16-6-10-4-12(15)14(18)13(5-10)19-3/h4-5,16,18H,6-7H2,1-3H3.
What are the key properties of 2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol?
2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol has a molecular weight of 341.21 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 78975030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).