2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide

C23H28N6O2 — CID 163292153

IUPAC2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide
SMILESCCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3nn(C(C)C)c(N)c3C#N)cc2)no1
InChIInChI=1S/C23H28N6O2/c1-6-23(4,5)18-12-19(28-31-18)26-20(30)11-15-7-9-16(10-8-15)21-17(13-24)22(25)29(27-21)14(2)3/h7-10,12,14H,6,11,25H2,1-5H3,(H,26,28,30)
InChIKeyVGTFBEKGXRREQG-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.44
Rot. Bonds7

About 2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide

2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide (PubChem CID 163292153) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide
PubChem CID163292153
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide
SMILESCCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3nn(C(C)C)c(N)c3C#N)cc2)no1
InChIInChI=1S/C23H28N6O2/c1-6-23(4,5)18-12-19(28-31-18)26-20(30)11-15-7-9-16(10-8-15)21-17(13-24)22(25)29(27-21)14(2)3/h7-10,12,14H,6,11,25H2,1-5H3,(H,26,28,30)
InChIKeyVGTFBEKGXRREQG-UHFFFAOYSA-N
XLogP4.44
TPSA122.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide (CID 163292153) is 2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide is CCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3nn(C(C)C)c(N)c3C#N)cc2)no1.
What is the InChIKey of 2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is VGTFBEKGXRREQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-6-23(4,5)18-12-19(28-31-18)26-20(30)11-15-7-9-16(10-8-15)21-17(13-24)22(25)29(27-21)14(2)3/h7-10,12,14H,6,11,25H2,1-5H3,(H,26,28,30).
What are the key properties of 2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide?
2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 420.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 163292153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).