2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine

C19H26N4O — CID 111256219

IUPAC2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
SMILESC/N=C(\NCc1cc(-c2ccccc2)on1)NC1CCC(C)CC1
InChIInChI=1S/C19H26N4O/c1-14-8-10-16(11-9-14)22-19(20-2)21-13-17-12-18(24-23-17)15-6-4-3-5-7-15/h3-7,12,14,16H,8-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyKTYWZWKISGPSLB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.59
Rot. Bonds4

About 2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine

2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine (PubChem CID 111256219) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
PubChem CID111256219
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
SMILESC/N=C(\NCc1cc(-c2ccccc2)on1)NC1CCC(C)CC1
InChIInChI=1S/C19H26N4O/c1-14-8-10-16(11-9-14)22-19(20-2)21-13-17-12-18(24-23-17)15-6-4-3-5-7-15/h3-7,12,14,16H,8-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyKTYWZWKISGPSLB-UHFFFAOYSA-N
XLogP3.59
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111020105
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111142843
2-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine;hydroiodide
CID 111226744
2-methyl-1-(4-methylcyclohexyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111256863
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111956077
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111525031
1-(2-ethoxyethyl)-2-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111896563
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111609864
2-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(2-phenylsulfanylethyl)guanidine
CID 111372941
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111391592
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopentanamine
CID 170752500
1-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111917482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine (CID 111256219) is 2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine is C/N=C(\NCc1cc(-c2ccccc2)on1)NC1CCC(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The InChIKey is KTYWZWKISGPSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-8-10-16(11-9-14)22-19(20-2)21-13-17-12-18(24-23-17)15-6-4-3-5-7-15/h3-7,12,14,16H,8-11,13H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine has a molecular weight of 326.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine is sourced from PubChem (CID 111256219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).