N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline

C24H21N3O — CID 19580278

IUPACN,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline
SMILESCN(C)c1ccc(/C=N/c2ccc(-c3cnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C24H21N3O/c1-27(2)22-14-8-18(9-15-22)16-25-21-12-10-19(11-13-21)23-17-26-24(28-23)20-6-4-3-5-7-20/h3-17H,1-2H3/b25-16+
InChIKeyPFLRFYISSBKDSG-PCLIKHOPSA-N
MW367.45 g/mol
LogP5.83
Rot. Bonds5

About N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline

N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline (PubChem CID 19580278) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline
PubChem CID19580278
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline
SMILESCN(C)c1ccc(/C=N/c2ccc(-c3cnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C24H21N3O/c1-27(2)22-14-8-18(9-15-22)16-25-21-12-10-19(11-13-21)23-17-26-24(28-23)20-6-4-3-5-7-20/h3-17H,1-2H3/b25-16+
InChIKeyPFLRFYISSBKDSG-PCLIKHOPSA-N
XLogP5.83
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline (CID 19580278) is N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline is CN(C)c1ccc(/C=N/c2ccc(-c3cnc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline?
The InChIKey is PFLRFYISSBKDSG-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H21N3O/c1-27(2)22-14-8-18(9-15-22)16-25-21-12-10-19(11-13-21)23-17-26-24(28-23)20-6-4-3-5-7-20/h3-17H,1-2H3/b25-16+.
What are the key properties of N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline?
N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline has a molecular weight of 367.45 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline is sourced from PubChem (CID 19580278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).