2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine

C26H27N5O2 — CID 111590845

IUPAC2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
SMILESC/N=C(/NCc1ccnc(OCc2ccccc2)c1)NCc1coc(-c2ccc(C)cc2)n1
InChIInChI=1S/C26H27N5O2/c1-19-8-10-22(11-9-19)25-31-23(18-33-25)16-30-26(27-2)29-15-21-12-13-28-24(14-21)32-17-20-6-4-3-5-7-20/h3-14,18H,15-17H2,1-2H3,(H2,27,29,30)
InChIKeyQTKUYHSSYVQNHQ-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.49
Rot. Bonds8

About 2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine

2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine (PubChem CID 111590845) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
PubChem CID111590845
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
SMILESC/N=C(/NCc1ccnc(OCc2ccccc2)c1)NCc1coc(-c2ccc(C)cc2)n1
InChIInChI=1S/C26H27N5O2/c1-19-8-10-22(11-9-19)25-31-23(18-33-25)16-30-26(27-2)29-15-21-12-13-28-24(14-21)32-17-20-6-4-3-5-7-20/h3-14,18H,15-17H2,1-2H3,(H2,27,29,30)
InChIKeyQTKUYHSSYVQNHQ-UHFFFAOYSA-N
XLogP4.49
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.49
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'}

Analyze 2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111898597
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 111592113
2-methyl-1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111940011
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
CID 111592109
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111933302
2-methyl-1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111591468
1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111150670
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111233262
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552518
3-[[[N'-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111591719
2-[3-[[[N'-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]carbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111986510
3-[[[N'-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111591718

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine (CID 111590845) is 2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine is C/N=C(/NCc1ccnc(OCc2ccccc2)c1)NCc1coc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
The InChIKey is QTKUYHSSYVQNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-19-8-10-22(11-9-19)25-31-23(18-33-25)16-30-26(27-2)29-15-21-12-13-28-24(14-21)32-17-20-6-4-3-5-7-20/h3-14,18H,15-17H2,1-2H3,(H2,27,29,30).
What are the key properties of 2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine has a molecular weight of 441.54 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111590845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).