N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide

C12H9N3O2 — CID 3791255

IUPACN-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2ccccc2)c1C#N
InChIInChI=1S/C12H9N3O2/c1-8-10(7-13)12(17-15-8)14-11(16)9-5-3-2-4-6-9/h2-6H,1H3,(H,14,16)
InChIKeyXZFXTFBEKIULJK-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.11
Rot. Bonds2

About N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide

N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 3791255) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID3791255
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC NameN-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2ccccc2)c1C#N
InChIInChI=1S/C12H9N3O2/c1-8-10(7-13)12(17-15-8)14-11(16)9-5-3-2-4-6-9/h2-6H,1H3,(H,14,16)
InChIKeyXZFXTFBEKIULJK-UHFFFAOYSA-N
XLogP2.11
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide (CID 3791255) is N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide is Cc1noc(NC(=O)c2ccccc2)c1C#N.
What is the InChIKey of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is XZFXTFBEKIULJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-8-10(7-13)12(17-15-8)14-11(16)9-5-3-2-4-6-9/h2-6H,1H3,(H,14,16).
What are the key properties of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide?
N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 227.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 3791255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).