N-(1,2-oxazol-3-yl)-3-oxobutanamide

C7H8N2O3 — CID 62902230

IUPACN-(1,2-oxazol-3-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccon1
InChIInChI=1S/C7H8N2O3/c1-5(10)4-7(11)8-6-2-3-12-9-6/h2-3H,4H2,1H3,(H,8,9,11)
InChIKeyRWLAFZMDLIYJIM-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.59
Rot. Bonds3

About N-(1,2-oxazol-3-yl)-3-oxobutanamide

N-(1,2-oxazol-3-yl)-3-oxobutanamide (PubChem CID 62902230) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-3-oxobutanamide
PubChem CID62902230
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC NameN-(1,2-oxazol-3-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccon1
InChIInChI=1S/C7H8N2O3/c1-5(10)4-7(11)8-6-2-3-12-9-6/h2-3H,4H2,1H3,(H,8,9,11)
InChIKeyRWLAFZMDLIYJIM-UHFFFAOYSA-N
XLogP0.59
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2-oxazol-3-ylamino)propan-2-one
CID 134365641
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
2-(butan-2-ylamino)-N-(1,2-oxazol-3-yl)acetamide
CID 42656286
2,3-dimethyl-4-(1,2-oxazol-3-ylamino)-4-oxobut-2-enoic acid
CID 76992297
2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide
CID 14050947
4-amino-N-(1,2-oxazol-3-yl)butanamide
CID 62903598
2-(2-methoxyethoxy)-N-(1,2-oxazol-3-yl)acetamide
CID 103895196
methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate
CID 112617179
2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide
CID 53316479
[3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid
CID 71724313
2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6467231
3-(1,2-oxazol-3-yl)-1,1-dipropylurea
CID 108811952

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-3-oxobutanamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-3-oxobutanamide (CID 62902230) is N-(1,2-oxazol-3-yl)-3-oxobutanamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-3-oxobutanamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-3-oxobutanamide is CC(=O)CC(=O)Nc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-3-oxobutanamide?
The InChIKey is RWLAFZMDLIYJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5(10)4-7(11)8-6-2-3-12-9-6/h2-3H,4H2,1H3,(H,8,9,11).
What are the key properties of N-(1,2-oxazol-3-yl)-3-oxobutanamide?
N-(1,2-oxazol-3-yl)-3-oxobutanamide has a molecular weight of 168.15 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-3-oxobutanamide is sourced from PubChem (CID 62902230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).