N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

C8H12N4O3 — CID 77113560

IUPACN-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(N)=NO)no1
InChIInChI=1S/C8H12N4O3/c1-5-3-6(11-15-5)8(13)12(2)4-7(9)10-14/h3,14H,4H2,1-2H3,(H2,9,10)
InChIKeyCOMPRGMDMBOALY-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.20
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 77113560) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID77113560
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(N)=NO)no1
InChIInChI=1S/C8H12N4O3/c1-5-3-6(11-15-5)8(13)12(2)4-7(9)10-14/h3,14H,4H2,1-2H3,(H2,9,10)
InChIKeyCOMPRGMDMBOALY-UHFFFAOYSA-N
XLogP-0.20
TPSA104.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
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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Related Compounds

N-cyclohexyl-N,5-dimethyl-3-isoxazolecarboxamide
CID 2814457
N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5307570
methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
CID 2747412
5-methyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-isoxazolecarboxamide
CID 2225426
N,N-dicyclohexyl-5-methylisoxazole-3-carboxamide
CID 3245758
N-(Butan-2-YL)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5307751
3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 3245069
N-butyl-2-[(5-methyl-3-isoxazolyl)carbonyl]-1-hydrazinecarboxamide
CID 2743501
(2,6-Dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 4231415
N-cyclohexyl-5-isopropylisoxazole-3-carboxamide
CID 3243071
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 59268944

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 77113560) is N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)CC(N)=NO)no1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is COMPRGMDMBOALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-5-3-6(11-15-5)8(13)12(2)4-7(9)10-14/h3,14H,4H2,1-2H3,(H2,9,10).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 212.21 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 77113560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).