5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

C16H16N4O2 — CID 1093761

IUPAC5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2cc(-c3ccccc3)on2)cn1
InChIInChI=1S/C16H16N4O2/c1-11(2)20-10-13(9-17-20)18-16(21)14-8-15(22-19-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)
InChIKeyIZHMSSRLDCFZEW-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.37
Rot. Bonds4

About 5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 1093761) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID1093761
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2cc(-c3ccccc3)on2)cn1
InChIInChI=1S/C16H16N4O2/c1-11(2)20-10-13(9-17-20)18-16(21)14-8-15(22-19-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)
InChIKeyIZHMSSRLDCFZEW-UHFFFAOYSA-N
XLogP3.37
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (CID 1093761) is 5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is CC(C)n1cc(NC(=O)c2cc(-c3ccccc3)on2)cn1.
What is the InChIKey of 5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is IZHMSSRLDCFZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11(2)20-10-13(9-17-20)18-16(21)14-8-15(22-19-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21).
What are the key properties of 5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).