1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine

C10H19N5O2 — CID 114181159

IUPAC1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine
SMILESCOCCN/C(=N\Cc1nc(C)c(C)o1)NN
InChIInChI=1S/C10H19N5O2/c1-7-8(2)17-9(14-7)6-13-10(15-11)12-4-5-16-3/h4-6,11H2,1-3H3,(H2,12,13,15)
InChIKeyZPTXNKJEKXYGFL-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.15
Rot. Bonds5

About 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine

1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine (PubChem CID 114181159) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine
PubChem CID114181159
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine
SMILESCOCCN/C(=N\Cc1nc(C)c(C)o1)NN
InChIInChI=1S/C10H19N5O2/c1-7-8(2)17-9(14-7)6-13-10(15-11)12-4-5-16-3/h4-6,11H2,1-3H3,(H2,12,13,15)
InChIKeyZPTXNKJEKXYGFL-UHFFFAOYSA-N
XLogP-0.15
TPSA97.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111751358
1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine
CID 106373236
1-amino-3-(2-methoxyethyl)-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 116511034
1-[2-(4-bromophenoxy)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109431561
1-amino-2-[(4,5-dimethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)guanidine
CID 104886536
1-amino-2-benzyl-3-(2-methoxyethyl)guanidine
CID 116511560
1-[2-(4-bromophenoxy)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109431560
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(3-octoxypropyl)guanidine;hydroiodide
CID 109430016
1-[2-(6-bromonaphthalen-2-yl)oxyethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109429425
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111170254
1-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)guanidine
CID 114181155
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
CID 111607315

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine?
The IUPAC name of 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine (CID 114181159) is 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine is COCCN/C(=N\Cc1nc(C)c(C)o1)NN.
What is the InChIKey of 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine?
The InChIKey is ZPTXNKJEKXYGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-7-8(2)17-9(14-7)6-13-10(15-11)12-4-5-16-3/h4-6,11H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine?
1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine has a molecular weight of 241.29 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 114181159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).