N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide

C8H9N3O2 — CID 135397511

IUPACN-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide
SMILESCCc1nc(C#N)c(NC(C)=O)o1
InChIInChI=1S/C8H9N3O2/c1-3-7-11-6(4-9)8(13-7)10-5(2)12/h3H2,1-2H3,(H,10,12)
InChIKeyRQKYKLOBIUDHOE-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.07
Rot. Bonds2

About N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide

N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide (PubChem CID 135397511) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide
PubChem CID135397511
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide
SMILESCCc1nc(C#N)c(NC(C)=O)o1
InChIInChI=1S/C8H9N3O2/c1-3-7-11-6(4-9)8(13-7)10-5(2)12/h3H2,1-2H3,(H,10,12)
InChIKeyRQKYKLOBIUDHOE-UHFFFAOYSA-N
XLogP1.07
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide?
The IUPAC name of N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide (CID 135397511) is N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide.
What is the SMILES notation for N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide?
The canonical SMILES for N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide is CCc1nc(C#N)c(NC(C)=O)o1.
What is the InChIKey of N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide?
The InChIKey is RQKYKLOBIUDHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-3-7-11-6(4-9)8(13-7)10-5(2)12/h3H2,1-2H3,(H,10,12).
What are the key properties of N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide?
N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide has a molecular weight of 179.18 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-ethyl-1,3-oxazol-5-yl)acetamide is sourced from PubChem (CID 135397511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).