N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide

C18H20N4O2 — CID 146220622

IUPACN-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)no1
InChIInChI=1S/C18H20N4O2/c1-18(2,3)16-9-15(21-24-16)17(23)20-14-10-19-22(12-14)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyDALUCQVQSXDILM-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.47
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide (PubChem CID 146220622) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide
PubChem CID146220622
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)no1
InChIInChI=1S/C18H20N4O2/c1-18(2,3)16-9-15(21-24-16)17(23)20-14-10-19-22(12-14)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyDALUCQVQSXDILM-UHFFFAOYSA-N
XLogP3.47
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide (CID 146220622) is N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide is CC(C)(C)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)no1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide?
The InChIKey is DALUCQVQSXDILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-18(2,3)16-9-15(21-24-16)17(23)20-14-10-19-22(12-14)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-tert-butyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).