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

C8H9N3O2 — CID 45122943

IUPACN-(4-cyano-3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCCC(=O)Nc1onc(C)c1C#N
InChIInChI=1S/C8H9N3O2/c1-3-7(12)10-8-6(4-9)5(2)11-13-8/h3H2,1-2H3,(H,10,12)
InChIKeyHYLFIGVZZSFHKP-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.20
Rot. Bonds2

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

N-(4-cyano-3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 45122943) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-(4-cyano-3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyano-3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID45122943
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN-(4-cyano-3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCCC(=O)Nc1onc(C)c1C#N
InChIInChI=1S/C8H9N3O2/c1-3-7(12)10-8-6(4-9)5(2)11-13-8/h3H2,1-2H3,(H,10,12)
InChIKeyHYLFIGVZZSFHKP-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
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)propanamide?
The IUPAC name of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)propanamide (CID 45122943) is N-(4-cyano-3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-(4-cyano-3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-(4-cyano-3-methyl-1,2-oxazol-5-yl)propanamide is CCC(=O)Nc1onc(C)c1C#N.
What is the InChIKey of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is HYLFIGVZZSFHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-3-7(12)10-8-6(4-9)5(2)11-13-8/h3H2,1-2H3,(H,10,12).
What are the key properties of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)propanamide?
N-(4-cyano-3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 179.18 g/mol, XLogP of 1.20, 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)propanamide is sourced from PubChem (CID 45122943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).