5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide

C12H16N4O2 — CID 45284702

IUPAC5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C)on2)n(C(C)C)n1
InChIInChI=1S/C12H16N4O2/c1-7(2)16-11(5-8(3)14-16)13-12(17)10-6-9(4)18-15-10/h5-7H,1-4H3,(H,13,17)
InChIKeyLGPNUWPZCOSCPQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.32
Rot. Bonds3

About 5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide

5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 45284702) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID45284702
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C)on2)n(C(C)C)n1
InChIInChI=1S/C12H16N4O2/c1-7(2)16-11(5-8(3)14-16)13-12(17)10-6-9(4)18-15-10/h5-7H,1-4H3,(H,13,17)
InChIKeyLGPNUWPZCOSCPQ-UHFFFAOYSA-N
XLogP2.32
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (CID 45284702) is 5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is Cc1cc(NC(=O)c2cc(C)on2)n(C(C)C)n1.
What is the InChIKey of 5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is LGPNUWPZCOSCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(2)16-11(5-8(3)14-16)13-12(17)10-6-9(4)18-15-10/h5-7H,1-4H3,(H,13,17).
What are the key properties of 5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45284702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).