5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide

C16H16N4O2 — CID 2745636

IUPAC5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide
SMILESCC(C)NC(=O)n1nccc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C16H16N4O2/c1-11(2)18-16(21)20-14(8-9-17-20)15-10-13(19-22-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)
InChIKeyQRNLAIUHBMUYJS-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.17
Rot. Bonds3

About 5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide

5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide (PubChem CID 2745636) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide
PubChem CID2745636
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide
SMILESCC(C)NC(=O)n1nccc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C16H16N4O2/c1-11(2)18-16(21)20-14(8-9-17-20)15-10-13(19-22-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)
InChIKeyQRNLAIUHBMUYJS-UHFFFAOYSA-N
XLogP3.17
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide?
The IUPAC name of 5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide (CID 2745636) is 5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for 5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide?
The canonical SMILES for 5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide is CC(C)NC(=O)n1nccc1-c1cc(-c2ccccc2)no1.
What is the InChIKey of 5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide?
The InChIKey is QRNLAIUHBMUYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11(2)18-16(21)20-14(8-9-17-20)15-10-13(19-22-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21).
What are the key properties of 5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide?
5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 2745636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).