2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine

C24H30N4O2 — CID 109428631

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine
SMILESCCN/C(=N\Cc1nc(C)c(C)o1)NCC(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N4O2/c1-4-25-23(26-16-22-28-18(2)19(3)30-22)27-17-24(29,21-13-9-6-10-14-21)15-20-11-7-5-8-12-20/h5-14,29H,4,15-17H2,1-3H3,(H2,25,26,27)
InChIKeyBRSPYVDPCXTNQM-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.48
Rot. Bonds8

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine (PubChem CID 109428631) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine
PubChem CID109428631
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine
SMILESCCN/C(=N\Cc1nc(C)c(C)o1)NCC(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N4O2/c1-4-25-23(26-16-22-28-18(2)19(3)30-22)27-17-24(29,21-13-9-6-10-14-21)15-20-11-7-5-8-12-20/h5-14,29H,4,15-17H2,1-3H3,(H2,25,26,27)
InChIKeyBRSPYVDPCXTNQM-UHFFFAOYSA-N
XLogP3.48
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.48
H-Bond Donors ≤ 53
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-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine
CID 111491490
2-benzyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 110952217
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-3-phenylpropyl)guanidine
CID 109430483
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172196
1-[3-[benzyl(methyl)amino]propyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109429317
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-phenylmethoxybutyl)guanidine
CID 109431055
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
CID 111607315
1-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109432436
1-[2-(4-benzylpiperazin-1-yl)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109431521
1-[2-(dimethylamino)-2-phenylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109429953
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3,5-dimethylphenyl)ethyl]-3-ethylguanidine
CID 111649358
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-ethyl-2-(hydroxymethyl)butyl]guanidine;hydroiodide
CID 109430892

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine (CID 109428631) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine is CCN/C(=N\Cc1nc(C)c(C)o1)NCC(O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine?
The InChIKey is BRSPYVDPCXTNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-25-23(26-16-22-28-18(2)19(3)30-22)27-17-24(29,21-13-9-6-10-14-21)15-20-11-7-5-8-12-20/h5-14,29H,4,15-17H2,1-3H3,(H2,25,26,27).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine has a molecular weight of 406.53 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine is sourced from PubChem (CID 109428631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).