N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C5H8N2O3 — CID 20694525

IUPACN-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NOC(C(=O)NO)C1
InChIInChI=1S/C5H8N2O3/c1-3-2-4(10-7-3)5(8)6-9/h4,9H,2H2,1H3,(H,6,8)
InChIKeyKXINZOPDYGGIJM-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.34
Rot. Bonds1

About N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 20694525) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID20694525
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC NameN-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NOC(C(=O)NO)C1
InChIInChI=1S/C5H8N2O3/c1-3-2-4(10-7-3)5(8)6-9/h4,9H,2H2,1H3,(H,6,8)
InChIKeyKXINZOPDYGGIJM-UHFFFAOYSA-N
XLogP-0.34
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
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'}

Analyze N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 20694525) is N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1=NOC(C(=O)NO)C1.
What is the InChIKey of N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is KXINZOPDYGGIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-3-2-4(10-7-3)5(8)6-9/h4,9H,2H2,1H3,(H,6,8).
What are the key properties of N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 144.13 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 20694525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).