5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide

C6H9N3O3 — CID 124704699

IUPAC5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)n1c(C(N)=O)noc1=O
InChIInChI=1S/C6H9N3O3/c1-3(2)9-5(4(7)10)8-12-6(9)11/h3H,1-2H3,(H2,7,10)
InChIKeyNAPAXIWJEJDPFM-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.48
Rot. Bonds2

About 5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide

5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 124704699) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID124704699
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)n1c(C(N)=O)noc1=O
InChIInChI=1S/C6H9N3O3/c1-3(2)9-5(4(7)10)8-12-6(9)11/h3H,1-2H3,(H2,7,10)
InChIKeyNAPAXIWJEJDPFM-UHFFFAOYSA-N
XLogP-0.48
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide
CID 137225636
N-ethyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 130685667
N,N-dimethyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 130710694
N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137216461
N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137216584
N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137243240
N-cyclopropyl-N-ethyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146082764

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 124704699) is 5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide is CC(C)n1c(C(N)=O)noc1=O.
What is the InChIKey of 5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is NAPAXIWJEJDPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-3(2)9-5(4(7)10)8-12-6(9)11/h3H,1-2H3,(H2,7,10).
What are the key properties of 5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide?
5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 171.16 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 124704699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).