N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

C19H14N6O2 — CID 108738156

IUPACN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)Nc3c(C#N)cnn3-c3ccccn3)c2c1
InChIInChI=1S/C19H14N6O2/c1-12-5-6-16-14(8-12)15(24-27-16)9-18(26)23-19-13(10-20)11-22-25(19)17-4-2-3-7-21-17/h2-8,11H,9H2,1H3,(H,23,26)
InChIKeyJWWUUUFBYSDSGI-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.77
Rot. Bonds4

About N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108738156) has the molecular formula C19H14N6O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108738156
Molecular FormulaC19H14N6O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC NameN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)Nc3c(C#N)cnn3-c3ccccn3)c2c1
InChIInChI=1S/C19H14N6O2/c1-12-5-6-16-14(8-12)15(24-27-16)9-18(26)23-19-13(10-20)11-22-25(19)17-4-2-3-7-21-17/h2-8,11H,9H2,1H3,(H,23,26)
InChIKeyJWWUUUFBYSDSGI-UHFFFAOYSA-N
XLogP2.77
TPSA109.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108747482
N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108737075
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108747503
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-ethylbutanamide
CID 108738040
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 108760932
N,N-diethyl-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylpyrazole-4-carboxamide
CID 108746133
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propylphenoxy)acetamide
CID 108760998
3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
CID 108738179
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 108803231

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (CID 108738156) is N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is Cc1ccc2onc(CC(=O)Nc3c(C#N)cnn3-c3ccccn3)c2c1.
What is the InChIKey of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is JWWUUUFBYSDSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2/c1-12-5-6-16-14(8-12)15(24-27-16)9-18(26)23-19-13(10-20)11-22-25(19)17-4-2-3-7-21-17/h2-8,11H,9H2,1H3,(H,23,26).
What are the key properties of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 358.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108738156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).