4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol

C18H17N3O2 — CID 627902

IUPAC4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol
SMILESCN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2O)cc1
InChIInChI=1S/C18H17N3O2/c1-21(2)15-10-8-14(9-11-15)19-12-16-18(22)23-17(20-16)13-6-4-3-5-7-13/h3-12,22H,1-2H3/b19-12+
InChIKeyFPBAVBNDEYMNGH-XDHOZWIPSA-N
MW307.35 g/mol
LogP3.86
Rot. Bonds4

About 4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol

4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol (PubChem CID 627902) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol
PubChem CID627902
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol
SMILESCN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2O)cc1
InChIInChI=1S/C18H17N3O2/c1-21(2)15-10-8-14(9-11-15)19-12-16-18(22)23-17(20-16)13-6-4-3-5-7-13/h3-12,22H,1-2H3/b19-12+
InChIKeyFPBAVBNDEYMNGH-XDHOZWIPSA-N
XLogP3.86
TPSA61.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol (CID 627902) is 4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol is CN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2O)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The InChIKey is FPBAVBNDEYMNGH-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21(2)15-10-8-14(9-11-15)19-12-16-18(22)23-17(20-16)13-6-4-3-5-7-13/h3-12,22H,1-2H3/b19-12+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol has a molecular weight of 307.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol is sourced from PubChem (CID 627902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).