4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide

C19H19N3O2 — CID 53143081

IUPAC4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)14-9-7-13(8-10-14)18(23)21-17-12-16(22-24-17)15-6-4-5-11-20-15/h4-12H,1-3H3,(H,21,23)
InChIKeySBPXLCHCGXUADI-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.29
Rot. Bonds3

About 4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide

4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide (PubChem CID 53143081) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide
PubChem CID53143081
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)14-9-7-13(8-10-14)18(23)21-17-12-16(22-24-17)15-6-4-5-11-20-15/h4-12H,1-3H3,(H,21,23)
InChIKeySBPXLCHCGXUADI-UHFFFAOYSA-N
XLogP4.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-(pyridin-4-yl)isoxazol-5-yl)isobutyramide
CID 10140239
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-isopropylisoxazol-5-yl)isonicotinamide
CID 10227245
2-(4-(5-Amino-3-(pyridin-4-yl)isoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10272495
5-methyl-6-phenyl-3-(pyridin-2-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579324
(S)-N1-(3-(isoquinolin-6-yl)isoxazol-5-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 46880293
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 58659496
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 118706305
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 118706306
5-methyl-3-phenyl-N-(pyridin-3-yl)-1,2-oxazole-4-carboxamide
CID 655003
5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 1122041

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide (CID 53143081) is 4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1.
What is the InChIKey of 4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide?
The InChIKey is SBPXLCHCGXUADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2,3)14-9-7-13(8-10-14)18(23)21-17-12-16(22-24-17)15-6-4-5-11-20-15/h4-12H,1-3H3,(H,21,23).
What are the key properties of 4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide?
4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 53143081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).