2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine

C11H19N5O2 — CID 111602189

IUPAC2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine
SMILESC/N=C(/NCc1noc(C)n1)NCC1CCCO1
InChIInChI=1S/C11H19N5O2/c1-8-15-10(16-18-8)7-14-11(12-2)13-6-9-4-3-5-17-9/h9H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyVCBHGZKSSSEZDA-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.22
Rot. Bonds4

About 2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine

2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine (PubChem CID 111602189) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine
PubChem CID111602189
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine
SMILESC/N=C(/NCc1noc(C)n1)NCC1CCCO1
InChIInChI=1S/C11H19N5O2/c1-8-15-10(16-18-8)7-14-11(12-2)13-6-9-4-3-5-17-9/h9H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyVCBHGZKSSSEZDA-UHFFFAOYSA-N
XLogP0.22
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2,4-dimethylphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111139027
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 71876154
1-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139408
2-methyl-1-(naphthalen-1-ylmethyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138548
1-(furan-3-ylmethyl)-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119130018
1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 119130023
1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
CID 119151375
2-methyl-1-(oxolan-2-ylmethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111137283
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111139817
1-[(3-chlorophenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137403
2-methyl-1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111137721
1-(2,2-dicyclopropylethyl)-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111500027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine (CID 111602189) is 2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine is C/N=C(/NCc1noc(C)n1)NCC1CCCO1.
What is the InChIKey of 2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine?
The InChIKey is VCBHGZKSSSEZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8-15-10(16-18-8)7-14-11(12-2)13-6-9-4-3-5-17-9/h9H,3-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine?
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine has a molecular weight of 253.31 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 111602189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).