N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide

C18H20N4O2 — CID 126830027

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(-c3ccccc3)o2)n(C(C)(C)C)n1
InChIInChI=1S/C18H20N4O2/c1-12-10-15(22(21-12)18(2,3)4)20-16(23)14-11-19-17(24-14)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,20,23)
InChIKeyOSKZCTQLZZYXSR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.85
Rot. Bonds3

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 126830027) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID126830027
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(-c3ccccc3)o2)n(C(C)(C)C)n1
InChIInChI=1S/C18H20N4O2/c1-12-10-15(22(21-12)18(2,3)4)20-16(23)14-11-19-17(24-14)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,20,23)
InChIKeyOSKZCTQLZZYXSR-UHFFFAOYSA-N
XLogP3.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-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-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide (CID 126830027) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide is Cc1cc(NC(=O)c2cnc(-c3ccccc3)o2)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is OSKZCTQLZZYXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-10-15(22(21-12)18(2,3)4)20-16(23)14-11-19-17(24-14)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,20,23).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 126830027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).