N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

C24H25N5O2S — CID 56550703

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)CSCc2coc(-c3ccccc3)n2)n(-c2ccccn2)n1
InChIInChI=1S/C24H25N5O2S/c1-24(2,3)19-13-21(29(28-19)20-11-7-8-12-25-20)27-22(30)16-32-15-18-14-31-23(26-18)17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3,(H,27,30)
InChIKeyNENOIBJETGEMSQ-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.09
Rot. Bonds7

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 56550703) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID56550703
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)CSCc2coc(-c3ccccc3)n2)n(-c2ccccn2)n1
InChIInChI=1S/C24H25N5O2S/c1-24(2,3)19-13-21(29(28-19)20-11-7-8-12-25-20)27-22(30)16-32-15-18-14-31-23(26-18)17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3,(H,27,30)
InChIKeyNENOIBJETGEMSQ-UHFFFAOYSA-N
XLogP5.09
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55629856
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 56551145
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 87000849
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 110001098
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 56531384
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 56551244
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 55630083
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 119223648
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide
CID 99787256
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 56550411
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 56550822

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (CID 56550703) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is CC(C)(C)c1cc(NC(=O)CSCc2coc(-c3ccccc3)n2)n(-c2ccccn2)n1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is NENOIBJETGEMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-24(2,3)19-13-21(29(28-19)20-11-7-8-12-25-20)27-22(30)16-32-15-18-14-31-23(26-18)17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3,(H,27,30).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 447.56 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 56550703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).