2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium

C18H21N2O4+ — CID 9451155

IUPAC2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium
SMILESCOc1ccc(OCC[NH+](C)Cn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C18H20N2O4/c1-19(11-12-23-15-9-7-14(22-2)8-10-15)13-20-16-5-3-4-6-17(16)24-18(20)21/h3-10H,11-13H2,1-2H3/p+1
InChIKeyMNNKUCOPGPXSMO-UHFFFAOYSA-O
MW329.38 g/mol
LogP1.15
Rot. Bonds7

About 2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium

2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium (PubChem CID 9451155) has the molecular formula C18H21N2O4+ and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium
PubChem CID9451155
Molecular FormulaC18H21N2O4+
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium
SMILESCOc1ccc(OCC[NH+](C)Cn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C18H20N2O4/c1-19(11-12-23-15-9-7-14(22-2)8-10-15)13-20-16-5-3-4-6-17(16)24-18(20)21/h3-10H,11-13H2,1-2H3/p+1
InChIKeyMNNKUCOPGPXSMO-UHFFFAOYSA-O
XLogP1.15
TPSA58.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-bromo-5-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 65325780
3-[[2-(4-bromophenoxy)ethyl-methylamino]methyl]-1,3-benzoxazol-2-one
CID 17467843
3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one
CID 27374839
3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
CID 9318404
3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-benzoxazol-2-one
CID 46573434
N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949216
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401009
3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 33276536
3-ethoxy-3-oxo-2-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methyl]propanoic acid
CID 10179028
N-(4-methoxyphenyl)-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 8884332
2-(4-fluorophenoxy)ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727481
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400679

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium (CID 9451155) is 2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium is COc1ccc(OCC[NH+](C)Cn2c(=O)oc3ccccc32)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium?
The InChIKey is MNNKUCOPGPXSMO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20N2O4/c1-19(11-12-23-15-9-7-14(22-2)8-10-15)13-20-16-5-3-4-6-17(16)24-18(20)21/h3-10H,11-13H2,1-2H3/p+1.
What are the key properties of 2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium?
2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium has a molecular weight of 329.38 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium is sourced from PubChem (CID 9451155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).