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

C16H16N4O2 — CID 2226429

IUPAC5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCCCn1cc(NC(=O)c2cc(-c3ccccc3)on2)cn1
InChIInChI=1S/C16H16N4O2/c1-2-8-20-11-13(10-17-20)18-16(21)14-9-15(22-19-14)12-6-4-3-5-7-12/h3-7,9-11H,2,8H2,1H3,(H,18,21)
InChIKeyQNTVBPCHXNHXCT-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.20
Rot. Bonds5

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

5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 2226429) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID2226429
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCCCn1cc(NC(=O)c2cc(-c3ccccc3)on2)cn1
InChIInChI=1S/C16H16N4O2/c1-2-8-20-11-13(10-17-20)18-16(21)14-9-15(22-19-14)12-6-4-3-5-7-12/h3-7,9-11H,2,8H2,1H3,(H,18,21)
InChIKeyQNTVBPCHXNHXCT-UHFFFAOYSA-N
XLogP3.20
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.20
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-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (CID 2226429) is 5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is CCCn1cc(NC(=O)c2cc(-c3ccccc3)on2)cn1.
What is the InChIKey of 5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is QNTVBPCHXNHXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-8-20-11-13(10-17-20)18-16(21)14-9-15(22-19-14)12-6-4-3-5-7-12/h3-7,9-11H,2,8H2,1H3,(H,18,21).
What are the key properties of 5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(1-propylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2226429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).