N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide

C13H9N5O2 — CID 108806769

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1ccc2ocnc2c1
InChIInChI=1S/C13H9N5O2/c1-18-12(9(5-14)6-16-18)17-13(19)8-2-3-11-10(4-8)15-7-20-11/h2-4,6-7H,1H3,(H,17,19)
InChIKeyBSEYGWVHDDXWCS-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.69
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide

N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide (PubChem CID 108806769) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide
PubChem CID108806769
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1ccc2ocnc2c1
InChIInChI=1S/C13H9N5O2/c1-18-12(9(5-14)6-16-18)17-13(19)8-2-3-11-10(4-8)15-7-20-11/h2-4,6-7H,1H3,(H,17,19)
InChIKeyBSEYGWVHDDXWCS-UHFFFAOYSA-N
XLogP1.69
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
CID 112723715
N-(4-cyano-1-methylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 112723801
N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide
CID 108806804
N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide
CID 79503285
N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108737103
N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide
CID 113220542
N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 79497137
N-(4-cyano-1-methylpyrazol-5-yl)-4-hydroxy-2-methylbenzamide
CID 107671438
N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide
CID 19475491
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide
CID 154681722
N-(4-cyano-1-methylpyrazol-5-yl)-4-methyl-3,5-dinitrobenzamide
CID 108737053

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide (CID 108806769) is N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide is Cn1ncc(C#N)c1NC(=O)c1ccc2ocnc2c1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is BSEYGWVHDDXWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c1-18-12(9(5-14)6-16-18)17-13(19)8-2-3-11-10(4-8)15-7-20-11/h2-4,6-7H,1H3,(H,17,19).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide?
N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 267.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 108806769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).