2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine

C12H15N5O — CID 103643251

IUPAC2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine
SMILESCc1noc(CC/N=C(\N)Nc2ccccc2)n1
InChIInChI=1S/C12H15N5O/c1-9-15-11(18-17-9)7-8-14-12(13)16-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,13,14,16)
InChIKeyBCDPJLMJVCGTML-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.35
Rot. Bonds4

About 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine (PubChem CID 103643251) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine
PubChem CID103643251
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine
SMILESCc1noc(CC/N=C(\N)Nc2ccccc2)n1
InChIInChI=1S/C12H15N5O/c1-9-15-11(18-17-9)7-8-14-12(13)16-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,13,14,16)
InChIKeyBCDPJLMJVCGTML-UHFFFAOYSA-N
XLogP1.35
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
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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Related Compounds

1-(4-ethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111091208
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111091225
1-(4-butan-2-ylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111091178
1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 103646420
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methylphenyl)guanidine
CID 111076145
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111091206
1-[2-(4-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 110930250
2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine
CID 106401269
1-(3,4-dimethylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111076132
2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide
CID 110935533
2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111813747
1-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111136120

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine (CID 103643251) is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine is Cc1noc(CC/N=C(\N)Nc2ccccc2)n1.
What is the InChIKey of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine?
The InChIKey is BCDPJLMJVCGTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-15-11(18-17-9)7-8-14-12(13)16-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,13,14,16).
What are the key properties of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine?
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine has a molecular weight of 245.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine is sourced from PubChem (CID 103643251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).