1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine

C20H30N6O2 — CID 111100354

IUPAC1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCc1noc(-c2ccc(CCN/C(=N/C)NCCN3CCOCC3)cc2)n1
InChIInChI=1S/C20H30N6O2/c1-3-18-24-19(28-25-18)17-6-4-16(5-7-17)8-9-22-20(21-2)23-10-11-26-12-14-27-15-13-26/h4-7H,3,8-15H2,1-2H3,(H2,21,22,23)
InChIKeyYIWQVKRYTFWNOM-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.34
Rot. Bonds8

About 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine

1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111100354) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID111100354
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCc1noc(-c2ccc(CCN/C(=N/C)NCCN3CCOCC3)cc2)n1
InChIInChI=1S/C20H30N6O2/c1-3-18-24-19(28-25-18)17-6-4-16(5-7-17)8-9-22-20(21-2)23-10-11-26-12-14-27-15-13-26/h4-7H,3,8-15H2,1-2H3,(H2,21,22,23)
InChIKeyYIWQVKRYTFWNOM-UHFFFAOYSA-N
XLogP1.34
TPSA87.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227458
1-butyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylguanidine
CID 111150132
1-(cyclopropylmethyl)-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylguanidine
CID 111868178
1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111417332
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
CID 111022923
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111354265
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211357
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909737
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984880
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407918
methyl 4-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]benzoate
CID 111040659
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111035440

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine (CID 111100354) is 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine is CCc1noc(-c2ccc(CCN/C(=N/C)NCCN3CCOCC3)cc2)n1.
What is the InChIKey of 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is YIWQVKRYTFWNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-3-18-24-19(28-25-18)17-6-4-16(5-7-17)8-9-22-20(21-2)23-10-11-26-12-14-27-15-13-26/h4-7H,3,8-15H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine?
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 386.50 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111100354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).