1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine

C18H24N4O2 — CID 109384603

IUPAC1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine
SMILESC/N=C(/NCc1ncc(-c2ccccc2)o1)N(C)CC1CCOC1
InChIInChI=1S/C18H24N4O2/c1-19-18(22(2)12-14-8-9-23-13-14)21-11-17-20-10-16(24-17)15-6-4-3-5-7-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,19,21)
InChIKeyCPSOSYLKKZJXJK-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.39
Rot. Bonds5

About 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine

1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine (PubChem CID 109384603) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine
PubChem CID109384603
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine
SMILESC/N=C(/NCc1ncc(-c2ccccc2)o1)N(C)CC1CCOC1
InChIInChI=1S/C18H24N4O2/c1-19-18(22(2)12-14-8-9-23-13-14)21-11-17-20-10-16(24-17)15-6-4-3-5-7-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,19,21)
InChIKeyCPSOSYLKKZJXJK-UHFFFAOYSA-N
XLogP2.39
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
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-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 95124344
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 109381702
3-[(2-fluorophenyl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383944
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 109382355
1,2-dimethyl-3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109385180
3-[[2-(4-chlorophenyl)phenyl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383169
3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109381651
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 109385253
1,2-dimethyl-3-[3-(N-methylanilino)propyl]-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383919
3-(2,2-dimethyl-3-phenylpropyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109381413
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 109384712
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 109381635

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine?
The IUPAC name of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine (CID 109384603) is 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine?
The canonical SMILES for 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine is C/N=C(/NCc1ncc(-c2ccccc2)o1)N(C)CC1CCOC1.
What is the InChIKey of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine?
The InChIKey is CPSOSYLKKZJXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-19-18(22(2)12-14-8-9-23-13-14)21-11-17-20-10-16(24-17)15-6-4-3-5-7-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,19,21).
What are the key properties of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine?
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine has a molecular weight of 328.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine is sourced from PubChem (CID 109384603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).