2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine

C20H24N4O2 — CID 18693947

IUPAC2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine
SMILESCOc1ccc2cc(C(C)c3cc(C/N=C(\N)N(C)C)on3)ccc2c1
InChIInChI=1S/C20H24N4O2/c1-13(19-11-18(26-23-19)12-22-20(21)24(2)3)14-5-6-16-10-17(25-4)8-7-15(16)9-14/h5-11,13H,12H2,1-4H3,(H2,21,22)
InChIKeyXAPAAMUXVFWKHY-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.36
Rot. Bonds5

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

2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine (PubChem CID 18693947) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine
PubChem CID18693947
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine
SMILESCOc1ccc2cc(C(C)c3cc(C/N=C(\N)N(C)C)on3)ccc2c1
InChIInChI=1S/C20H24N4O2/c1-13(19-11-18(26-23-19)12-22-20(21)24(2)3)14-5-6-16-10-17(25-4)8-7-15(16)9-14/h5-11,13H,12H2,1-4H3,(H2,21,22)
InChIKeyXAPAAMUXVFWKHY-UHFFFAOYSA-N
XLogP3.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine?
The IUPAC name of 2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine (CID 18693947) is 2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine is COc1ccc2cc(C(C)c3cc(C/N=C(\N)N(C)C)on3)ccc2c1.
What is the InChIKey of 2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine?
The InChIKey is XAPAAMUXVFWKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13(19-11-18(26-23-19)12-22-20(21)24(2)3)14-5-6-16-10-17(25-4)8-7-15(16)9-14/h5-11,13H,12H2,1-4H3,(H2,21,22).
What are the key properties of 2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine?
2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine has a molecular weight of 352.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-(6-methoxynaphthalen-2-yl)ethyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine is sourced from PubChem (CID 18693947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).