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

C19H24N6O — CID 109429887

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cnn(-c2ccccc2)c1)NCc1nc(C)c(C)o1
InChIInChI=1S/C19H24N6O/c1-4-20-19(22-12-18-24-14(2)15(3)26-18)21-10-16-11-23-25(13-16)17-8-6-5-7-9-17/h5-9,11,13H,4,10,12H2,1-3H3,(H2,20,21,22)
InChIKeyRJKBCJQQGBGYLF-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.73
Rot. Bonds6

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine (PubChem CID 109429887) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
PubChem CID109429887
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cnn(-c2ccccc2)c1)NCc1nc(C)c(C)o1
InChIInChI=1S/C19H24N6O/c1-4-20-19(22-12-18-24-14(2)15(3)26-18)21-10-16-11-23-25(13-16)17-8-6-5-7-9-17/h5-9,11,13H,4,10,12H2,1-3H3,(H2,20,21,22)
InChIKeyRJKBCJQQGBGYLF-UHFFFAOYSA-N
XLogP2.73
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.73
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'}

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Related Compounds

1,3-diethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 75406975
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 109432191
2-benzyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 110952217
1-ethyl-3-(furan-2-ylmethyl)-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 110938804
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111661004
1-ethyl-3-(2-phenylethyl)-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111134041
1-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylguanidine
CID 111123785
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine
CID 109429787
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 109429796
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109429918
2-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109431053
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109432037

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine (CID 109429887) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine is CCN/C(=N\Cc1cnn(-c2ccccc2)c1)NCc1nc(C)c(C)o1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine?
The InChIKey is RJKBCJQQGBGYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-4-20-19(22-12-18-24-14(2)15(3)26-18)21-10-16-11-23-25(13-16)17-8-6-5-7-9-17/h5-9,11,13H,4,10,12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine has a molecular weight of 352.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 109429887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).