N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide

C12H16N4O2 — CID 47343691

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)on1
InChIInChI=1S/C12H16N4O2/c1-7-5-8(18-16-7)11(17)13-10-6-9(14-15-10)12(2,3)4/h5-6H,1-4H3,(H2,13,14,15,17)
InChIKeyYQQIJVZUKNHFNR-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.26
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 47343691) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID47343691
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)on1
InChIInChI=1S/C12H16N4O2/c1-7-5-8(18-16-7)11(17)13-10-6-9(14-15-10)12(2,3)4/h5-6H,1-4H3,(H2,13,14,15,17)
InChIKeyYQQIJVZUKNHFNR-UHFFFAOYSA-N
XLogP2.26
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 47343691) is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)on1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is YQQIJVZUKNHFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-5-8(18-16-7)11(17)13-10-6-9(14-15-10)12(2,3)4/h5-6H,1-4H3,(H2,13,14,15,17).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47343691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).