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

C22H21N5O2 — CID 56551244

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(-c3ccccc3)on2)n(-c2ccccn2)n1
InChIInChI=1S/C22H21N5O2/c1-22(2,3)18-14-20(27(25-18)19-11-7-8-12-23-19)24-21(28)16-13-17(29-26-16)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,24,28)
InChIKeyKFJCGXLTKASHRR-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.47
Rot. Bonds4

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

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 56551244) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID56551244
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(-c3ccccc3)on2)n(-c2ccccn2)n1
InChIInChI=1S/C22H21N5O2/c1-22(2,3)18-14-20(27(25-18)19-11-7-8-12-23-19)24-21(28)16-13-17(29-26-16)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,24,28)
InChIKeyKFJCGXLTKASHRR-UHFFFAOYSA-N
XLogP4.47
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
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N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 56551145
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 56531464
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 56531713
2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide
CID 56550955
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 56531341
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)hexa-2,4-dienamide
CID 72687232
4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid
CID 122089728
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 56531739
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 56551244) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide is CC(C)(C)c1cc(NC(=O)c2cc(-c3ccccc3)on2)n(-c2ccccn2)n1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is KFJCGXLTKASHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-22(2,3)18-14-20(27(25-18)19-11-7-8-12-23-19)24-21(28)16-13-17(29-26-16)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,24,28).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56551244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).