2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine

C19H19FN4O — CID 54468409

IUPAC2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine
SMILESCN(C)C(N)=Nc1cc(Cc2ccc(-c3ccccc3)c(F)c2)no1
InChIInChI=1S/C19H19FN4O/c1-24(2)19(21)22-18-12-15(23-25-18)10-13-8-9-16(17(20)11-13)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H2,21,22)
InChIKeyXGOYZBLSPVZXMI-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.58
Rot. Bonds4

About 2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine

2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine (PubChem CID 54468409) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine
PubChem CID54468409
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine
SMILESCN(C)C(N)=Nc1cc(Cc2ccc(-c3ccccc3)c(F)c2)no1
InChIInChI=1S/C19H19FN4O/c1-24(2)19(21)22-18-12-15(23-25-18)10-13-8-9-16(17(20)11-13)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H2,21,22)
InChIKeyXGOYZBLSPVZXMI-UHFFFAOYSA-N
XLogP3.58
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine?
The IUPAC name of 2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine (CID 54468409) is 2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine is CN(C)C(N)=Nc1cc(Cc2ccc(-c3ccccc3)c(F)c2)no1.
What is the InChIKey of 2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine?
The InChIKey is XGOYZBLSPVZXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-24(2)19(21)22-18-12-15(23-25-18)10-13-8-9-16(17(20)11-13)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H2,21,22).
What are the key properties of 2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine?
2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine has a molecular weight of 338.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-fluoro-4-phenylphenyl)methyl]-1,2-oxazol-5-yl]-1,1-dimethylguanidine is sourced from PubChem (CID 54468409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).