N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide

C4H6N2O3 — CID 91184485

IUPACN-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NO)C1C=CNO1
InChIInChI=1S/C4H6N2O3/c7-4(6-8)3-1-2-5-9-3/h1-3,5,8H,(H,6,7)
InChIKeyHZKLCDWQPDBPEP-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.09
Rot. Bonds1

About N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide

N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 91184485) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID91184485
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC NameN-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NO)C1C=CNO1
InChIInChI=1S/C4H6N2O3/c7-4(6-8)3-1-2-5-9-3/h1-3,5,8H,(H,6,7)
InChIKeyHZKLCDWQPDBPEP-UHFFFAOYSA-N
XLogP-1.09
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide (CID 91184485) is N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NO)C1C=CNO1.
What is the InChIKey of N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is HZKLCDWQPDBPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c7-4(6-8)3-1-2-5-9-3/h1-3,5,8H,(H,6,7).
What are the key properties of N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide?
N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 130.10 g/mol, XLogP of -1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91184485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).