N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide

C13H15N3O2 — CID 1244224

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccnc2)no1
InChIInChI=1S/C13H15N3O2/c1-13(2,3)10-7-11(16-18-10)15-12(17)9-5-4-6-14-8-9/h4-8H,1-3H3,(H,15,16,17)
InChIKeyIRKPSQXBAPUXOK-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.62
Rot. Bonds2

About N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide (PubChem CID 1244224) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
PubChem CID1244224
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccnc2)no1
InChIInChI=1S/C13H15N3O2/c1-13(2,3)10-7-11(16-18-10)15-12(17)9-5-4-6-14-8-9/h4-8H,1-3H3,(H,15,16,17)
InChIKeyIRKPSQXBAPUXOK-UHFFFAOYSA-N
XLogP2.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-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-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide (CID 1244224) is N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide is CC(C)(C)c1cc(NC(=O)c2cccnc2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The InChIKey is IRKPSQXBAPUXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(2,3)10-7-11(16-18-10)15-12(17)9-5-4-6-14-8-9/h4-8H,1-3H3,(H,15,16,17).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 1244224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).