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

C18H20N4O2 — CID 138016851

IUPAC4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide
SMILESCCc1ncoc1C(=O)Nc1cc(-c2ccccc2)nn1C(C)C
InChIInChI=1S/C18H20N4O2/c1-4-14-17(24-11-19-14)18(23)20-16-10-15(21-22(16)12(2)3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,23)
InChIKeyXCISAXOUTGPRIG-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.93
Rot. Bonds5

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

4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide (PubChem CID 138016851) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide
PubChem CID138016851
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide
SMILESCCc1ncoc1C(=O)Nc1cc(-c2ccccc2)nn1C(C)C
InChIInChI=1S/C18H20N4O2/c1-4-14-17(24-11-19-14)18(23)20-16-10-15(21-22(16)12(2)3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,23)
InChIKeyXCISAXOUTGPRIG-UHFFFAOYSA-N
XLogP3.93
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide (CID 138016851) is 4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide is CCc1ncoc1C(=O)Nc1cc(-c2ccccc2)nn1C(C)C.
What is the InChIKey of 4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is XCISAXOUTGPRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-14-17(24-11-19-14)18(23)20-16-10-15(21-22(16)12(2)3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,23).
What are the key properties of 4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide?
4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-phenyl-1-propan-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 138016851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).