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

C15H20N2O3 — CID 50967608

IUPAC2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol
SMILESCCc1cc(CN(C)Cc2cccc(OC)c2O)on1
InChIInChI=1S/C15H20N2O3/c1-4-12-8-13(20-16-12)10-17(2)9-11-6-5-7-14(19-3)15(11)18/h5-8,18H,4,9-10H2,1-3H3
InChIKeyRRWYJNUXMWSWRV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.58
Rot. Bonds6

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

2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol (PubChem CID 50967608) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol
PubChem CID50967608
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol
SMILESCCc1cc(CN(C)Cc2cccc(OC)c2O)on1
InChIInChI=1S/C15H20N2O3/c1-4-12-8-13(20-16-12)10-17(2)9-11-6-5-7-14(19-3)15(11)18/h5-8,18H,4,9-10H2,1-3H3
InChIKeyRRWYJNUXMWSWRV-UHFFFAOYSA-N
XLogP2.58
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
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-methoxyphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 171130117
2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 65056423
2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol
CID 50970463
N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62411380
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
2-methoxy-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 82983294
[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62412644
2-methoxy-6-[[methyl(piperidin-2-ylmethyl)amino]methyl]phenol
CID 106622828
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111785211
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
CID 102999106
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
CID 79115913
2-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-6-methoxyphenol
CID 82983855

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol (CID 50967608) is 2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol is CCc1cc(CN(C)Cc2cccc(OC)c2O)on1.
What is the InChIKey of 2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol?
The InChIKey is RRWYJNUXMWSWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-12-8-13(20-16-12)10-17(2)9-11-6-5-7-14(19-3)15(11)18/h5-8,18H,4,9-10H2,1-3H3.
What are the key properties of 2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol?
2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol has a molecular weight of 276.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 50967608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).