N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide

C7H9N3O3 — CID 106398468

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCc1ncon1
InChIInChI=1S/C7H9N3O3/c1-5(11)2-7(12)8-3-6-9-4-13-10-6/h4H,2-3H2,1H3,(H,8,12)
InChIKeyZJWKZJLULJOEKM-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.34
Rot. Bonds4

About N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide

N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide (PubChem CID 106398468) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
PubChem CID106398468
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCc1ncon1
InChIInChI=1S/C7H9N3O3/c1-5(11)2-7(12)8-3-6-9-4-13-10-6/h4H,2-3H2,1H3,(H,8,12)
InChIKeyZJWKZJLULJOEKM-UHFFFAOYSA-N
XLogP-0.34
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395491
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396857
2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106409894
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
[3-(1,2,4-oxadiazol-3-ylmethylamino)-3-oxopropyl] 2-methylprop-2-enoate
CID 178076792
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395520
2-(cyclopentylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396900
2,3-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 106401317
(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106397147
2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106403233
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106401316
N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide
CID 106399263

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide (CID 106398468) is N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide is CC(=O)CC(=O)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide?
The InChIKey is ZJWKZJLULJOEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-5(11)2-7(12)8-3-6-9-4-13-10-6/h4H,2-3H2,1H3,(H,8,12).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide?
N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide has a molecular weight of 183.17 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide is sourced from PubChem (CID 106398468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).