N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide

C20H21N3O2 — CID 110650740

IUPACN-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnoc2-c2ccccc2)cc1
InChIInChI=1S/C20H21N3O2/c1-3-23(4-2)17-12-10-16(11-13-17)22-20(24)18-14-21-25-19(18)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,22,24)
InChIKeyVZAOEIIWFNTPLF-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.44
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide

N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 110650740) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID110650740
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnoc2-c2ccccc2)cc1
InChIInChI=1S/C20H21N3O2/c1-3-23(4-2)17-12-10-16(11-13-17)22-20(24)18-14-21-25-19(18)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,22,24)
InChIKeyVZAOEIIWFNTPLF-UHFFFAOYSA-N
XLogP4.44
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide (CID 110650740) is N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnoc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is VZAOEIIWFNTPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-23(4-2)17-12-10-16(11-13-17)22-20(24)18-14-21-25-19(18)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide?
N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110650740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).