2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide

C10H8N2O4 — CID 115175381

IUPAC2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
SMILESCC(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H8N2O4/c1-5(13)9(14)11-6-2-3-7-8(4-6)16-10(15)12-7/h2-4H,1H3,(H,11,14)(H,12,15)
InChIKeyOFWDCUQUPIOAPW-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.65
Rot. Bonds2

About 2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide

2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide (PubChem CID 115175381) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound Name2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
PubChem CID115175381
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
SMILESCC(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H8N2O4/c1-5(13)9(14)11-6-2-3-7-8(4-6)16-10(15)12-7/h2-4H,1H3,(H,11,14)(H,12,15)
InChIKeyOFWDCUQUPIOAPW-UHFFFAOYSA-N
XLogP0.65
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate
CID 53304199
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
1-(3-methylbutyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411149
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 155113953
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoate
CID 110662078
1-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylthiourea
CID 34883375
2-amino-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115179135
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
CID 50797084
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 110608124

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of 2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide (CID 115175381) is 2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for 2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for 2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide is CC(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is OFWDCUQUPIOAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-5(13)9(14)11-6-2-3-7-8(4-6)16-10(15)12-7/h2-4H,1H3,(H,11,14)(H,12,15).
What are the key properties of 2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 220.18 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 115175381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).