N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C19H19N5O2 — CID 51096836

IUPACN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)n(CCC#N)n1
InChIInChI=1S/C19H19N5O2/c1-13-11-17(24(23-13)10-6-9-20)22-18(25)12-16-14(2)26-19(21-16)15-7-4-3-5-8-15/h3-5,7-8,11H,6,10,12H2,1-2H3,(H,22,25)
InChIKeyBNGHGSUULBEACK-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.25
Rot. Bonds6

About N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 51096836) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID51096836
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)n(CCC#N)n1
InChIInChI=1S/C19H19N5O2/c1-13-11-17(24(23-13)10-6-9-20)22-18(25)12-16-14(2)26-19(21-16)15-7-4-3-5-8-15/h3-5,7-8,11H,6,10,12H2,1-2H3,(H,22,25)
InChIKeyBNGHGSUULBEACK-UHFFFAOYSA-N
XLogP3.25
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 51096836) is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)n(CCC#N)n1.
What is the InChIKey of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is BNGHGSUULBEACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-11-17(24(23-13)10-6-9-20)22-18(25)12-16-14(2)26-19(21-16)15-7-4-3-5-8-15/h3-5,7-8,11H,6,10,12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 51096836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).