2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide

C12H11N3O4 — CID 15296045

IUPAC2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide
SMILESNC(=O)CC1N=C(c2ccc(NC=O)cc2)OC1=O
InChIInChI=1S/C12H11N3O4/c13-10(17)5-9-12(18)19-11(15-9)7-1-3-8(4-2-7)14-6-16/h1-4,6,9H,5H2,(H2,13,17)(H,14,16)
InChIKeyDACNOQLIIFHDRN-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.20
Rot. Bonds5

About 2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide

2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide (PubChem CID 15296045) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide
PubChem CID15296045
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide
SMILESNC(=O)CC1N=C(c2ccc(NC=O)cc2)OC1=O
InChIInChI=1S/C12H11N3O4/c13-10(17)5-9-12(18)19-11(15-9)7-1-3-8(4-2-7)14-6-16/h1-4,6,9H,5H2,(H2,13,17)(H,14,16)
InChIKeyDACNOQLIIFHDRN-UHFFFAOYSA-N
XLogP-0.20
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide?
The IUPAC name of 2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide (CID 15296045) is 2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for 2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for 2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide is NC(=O)CC1N=C(c2ccc(NC=O)cc2)OC1=O.
What is the InChIKey of 2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide?
The InChIKey is DACNOQLIIFHDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c13-10(17)5-9-12(18)19-11(15-9)7-1-3-8(4-2-7)14-6-16/h1-4,6,9H,5H2,(H2,13,17)(H,14,16).
What are the key properties of 2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide?
2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide has a molecular weight of 261.24 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-formamidophenyl)-5-oxo-4H-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 15296045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).