N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C9H14N4O4 — CID 77113433

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC(C)C(N)=NO)no1
InChIInChI=1S/C9H14N4O4/c1-5(8(10)12-15)11-9(14)7-3-6(4-16-2)17-13-7/h3,5,15H,4H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyRHHHJCUFESXILN-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.31
Rot. Bonds5

About N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 77113433) has the molecular formula C9H14N4O4 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID77113433
Molecular FormulaC9H14N4O4
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC(C)C(N)=NO)no1
InChIInChI=1S/C9H14N4O4/c1-5(8(10)12-15)11-9(14)7-3-6(4-16-2)17-13-7/h3,5,15H,4H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyRHHHJCUFESXILN-UHFFFAOYSA-N
XLogP-0.31
TPSA122.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-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-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 77113433) is N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NC(C)C(N)=NO)no1.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RHHHJCUFESXILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-5(8(10)12-15)11-9(14)7-3-6(4-16-2)17-13-7/h3,5,15H,4H2,1-2H3,(H2,10,12)(H,11,14).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 242.24 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 77113433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).