N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

C16H15N5O2 — CID 108737075

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc2onc(CC(=O)Nc3c(C#N)cnn3C)c2cc1C
InChIInChI=1S/C16H15N5O2/c1-9-4-12-13(20-23-14(12)5-10(9)2)6-15(22)19-16-11(7-17)8-18-21(16)3/h4-5,8H,6H2,1-3H3,(H,19,22)
InChIKeyYIEJUSNKKIBUEC-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.23
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108737075) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108737075
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc2onc(CC(=O)Nc3c(C#N)cnn3C)c2cc1C
InChIInChI=1S/C16H15N5O2/c1-9-4-12-13(20-23-14(12)5-10(9)2)6-15(22)19-16-11(7-17)8-18-21(16)3/h4-5,8H,6H2,1-3H3,(H,19,22)
InChIKeyYIEJUSNKKIBUEC-UHFFFAOYSA-N
XLogP2.23
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3-cyano-4,5-dimethylfuran-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108740199
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108738156
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108804375
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 108792125
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108804334
3-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-methylbenzoic acid
CID 108804310
N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
CID 112723715
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 108804393
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 108741140

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108737075) is N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is Cc1cc2onc(CC(=O)Nc3c(C#N)cnn3C)c2cc1C.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is YIEJUSNKKIBUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-9-4-12-13(20-23-14(12)5-10(9)2)6-15(22)19-16-11(7-17)8-18-21(16)3/h4-5,8H,6H2,1-3H3,(H,19,22).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 2.23, 3 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)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108737075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).