2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine

C21H31N5O2 — CID 109432005

IUPAC2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccnc(OC2CCCCC2)c1)NCc1nc(C)c(C)o1
InChIInChI=1S/C21H31N5O2/c1-4-22-21(25-14-20-26-15(2)16(3)27-20)24-13-17-10-11-23-19(12-17)28-18-8-6-5-7-9-18/h10-12,18H,4-9,13-14H2,1-3H3,(H2,22,24,25)
InChIKeyOBESNMBHMXYBRK-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.65
Rot. Bonds7

About 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine

2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine (PubChem CID 109432005) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine.

Molecular Properties

Compound Name2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
PubChem CID109432005
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccnc(OC2CCCCC2)c1)NCc1nc(C)c(C)o1
InChIInChI=1S/C21H31N5O2/c1-4-22-21(25-14-20-26-15(2)16(3)27-20)24-13-17-10-11-23-19(12-17)28-18-8-6-5-7-9-18/h10-12,18H,4-9,13-14H2,1-3H3,(H2,22,24,25)
InChIKeyOBESNMBHMXYBRK-UHFFFAOYSA-N
XLogP3.65
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.65
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-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine with MolForge

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Launch Full Analysis

Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine
CID 109431449
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 110937164
1-cyclopentyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 110989668
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896449
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-ethyl-3-prop-2-enylguanidine
CID 110979675
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111896448
1,3-diethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine
CID 111179278
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine
CID 111940619
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345484
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 109431617
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377433
tert-butyl N-[2-[[N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111885192

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine?
The IUPAC name of 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine (CID 109432005) is 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine.
What is the SMILES notation for 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine?
The canonical SMILES for 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine is CCN/C(=N\Cc1ccnc(OC2CCCCC2)c1)NCc1nc(C)c(C)o1.
What is the InChIKey of 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine?
The InChIKey is OBESNMBHMXYBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-4-22-21(25-14-20-26-15(2)16(3)27-20)24-13-17-10-11-23-19(12-17)28-18-8-6-5-7-9-18/h10-12,18H,4-9,13-14H2,1-3H3,(H2,22,24,25).
What are the key properties of 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine?
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine has a molecular weight of 385.51 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine is sourced from PubChem (CID 109432005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).