5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide

C13H15N3O2 — CID 167799653

IUPAC5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ccccn2)no1
InChIInChI=1S/C13H15N3O2/c1-13(2,3)10-8-9(16-18-10)12(17)15-11-6-4-5-7-14-11/h4-8H,1-3H3,(H,14,15,17)
InChIKeyVLGQLNYHJZABEQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.62
Rot. Bonds2

About 5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide

5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 167799653) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
PubChem CID167799653
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ccccn2)no1
InChIInChI=1S/C13H15N3O2/c1-13(2,3)10-8-9(16-18-10)12(17)15-11-6-4-5-7-14-11/h4-8H,1-3H3,(H,14,15,17)
InChIKeyVLGQLNYHJZABEQ-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 5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-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

Related Compounds

5-methyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 1247385
5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide
CID 2744591
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 17011861
5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 73051560
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
4-methyl-N-pyridin-2-yl-1,2,5-oxadiazole-3-carboxamide
CID 110692016
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 73051566
4-(propylamino)-N-pyridin-2-ylpyridine-2-carboxamide
CID 55042694
2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137390387
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
2,5-dimethyl-N-pyridin-2-ylfuran-3-carboxamide
CID 35034898

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide (CID 167799653) is 5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide is CC(C)(C)c1cc(C(=O)Nc2ccccn2)no1.
What is the InChIKey of 5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VLGQLNYHJZABEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(2,3)10-8-9(16-18-10)12(17)15-11-6-4-5-7-14-11/h4-8H,1-3H3,(H,14,15,17).
What are the key properties of 5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide?
5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-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 5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167799653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).