N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide

C9H12N4O3 — CID 77039310

IUPACN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide
SMILESNC(=NO)C(NC(=O)c1ccon1)C1CC1
InChIInChI=1S/C9H12N4O3/c10-8(12-15)7(5-1-2-5)11-9(14)6-3-4-16-13-6/h3-5,7,15H,1-2H2,(H2,10,12)(H,11,14)
InChIKeyRRYKXZXVLGXQJW-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.07
Rot. Bonds4

About N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide (PubChem CID 77039310) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide
PubChem CID77039310
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide
SMILESNC(=NO)C(NC(=O)c1ccon1)C1CC1
InChIInChI=1S/C9H12N4O3/c10-8(12-15)7(5-1-2-5)11-9(14)6-3-4-16-13-6/h3-5,7,15H,1-2H2,(H2,10,12)(H,11,14)
InChIKeyRRYKXZXVLGXQJW-UHFFFAOYSA-N
XLogP-0.07
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide (CID 77039310) is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide is NC(=NO)C(NC(=O)c1ccon1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RRYKXZXVLGXQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-8(12-15)7(5-1-2-5)11-9(14)6-3-4-16-13-6/h3-5,7,15H,1-2H2,(H2,10,12)(H,11,14).
What are the key properties of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide?
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 77039310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).