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

C17H17N3O2 — CID 46416181

IUPACN-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide
SMILESCC(C)(C)c1nc2cc(NC(=O)c3ccccn3)ccc2o1
InChIInChI=1S/C17H17N3O2/c1-17(2,3)16-20-13-10-11(7-8-14(13)22-16)19-15(21)12-6-4-5-9-18-12/h4-10H,1-3H3,(H,19,21)
InChIKeyGEFPXIXDVCAGFN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.77
Rot. Bonds2

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

N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide (PubChem CID 46416181) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide
PubChem CID46416181
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide
SMILESCC(C)(C)c1nc2cc(NC(=O)c3ccccn3)ccc2o1
InChIInChI=1S/C17H17N3O2/c1-17(2,3)16-20-13-10-11(7-8-14(13)22-16)19-15(21)12-6-4-5-9-18-12/h4-10H,1-3H3,(H,19,21)
InChIKeyGEFPXIXDVCAGFN-UHFFFAOYSA-N
XLogP3.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38332153
3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride
CID 119949951
N-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxamide
CID 170421222
4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
CID 120560417
4-bromo-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563265
4-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672739
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 60509343
2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide
CID 120985693
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-2-carboxamide
CID 135681250
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46401890
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-4-methoxy-3-nitrobenzamide
CID 55620071
N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 39343485

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide (CID 46416181) is N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide is CC(C)(C)c1nc2cc(NC(=O)c3ccccn3)ccc2o1.
What is the InChIKey of N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide?
The InChIKey is GEFPXIXDVCAGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-17(2,3)16-20-13-10-11(7-8-14(13)22-16)19-15(21)12-6-4-5-9-18-12/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide?
N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 46416181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).