1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine

C7H13N5O — CID 130942431

IUPAC1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESC/N=C(\NC)NC(C)c1ncon1
InChIInChI=1S/C7H13N5O/c1-5(6-10-4-13-12-6)11-7(8-2)9-3/h4-5H,1-3H3,(H2,8,9,11)
InChIKeyBNPHNBHSPKGVDU-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.07
Rot. Bonds2

About 1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine

1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine (PubChem CID 130942431) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine
PubChem CID130942431
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESC/N=C(\NC)NC(C)c1ncon1
InChIInChI=1S/C7H13N5O/c1-5(6-10-4-13-12-6)11-7(8-2)9-3/h4-5H,1-3H3,(H2,8,9,11)
InChIKeyBNPHNBHSPKGVDU-UHFFFAOYSA-N
XLogP-0.07
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.07
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

2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 130831803
3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 97340394
2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 120670661
5-(3-methylphenyl)-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 99776990
5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 99776989
5-(3-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 86814689
3-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 59539680
1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine
CID 130987509
1-(1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096089
6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide
CID 84597493
N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 124616260
1,2-dimethyl-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]guanidine
CID 52516530

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine (CID 130942431) is 1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine is C/N=C(\NC)NC(C)c1ncon1.
What is the InChIKey of 1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The InChIKey is BNPHNBHSPKGVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-5(6-10-4-13-12-6)11-7(8-2)9-3/h4-5H,1-3H3,(H2,8,9,11).
What are the key properties of 1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine?
1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine has a molecular weight of 183.22 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 130942431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).