3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide

C8H12N4O3 — CID 106375701

IUPAC3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)CC(N)=NO)o1
InChIInChI=1S/C8H12N4O3/c1-5-3-11-8(15-5)4-10-7(13)2-6(9)12-14/h3,14H,2,4H2,1H3,(H2,9,12)(H,10,13)
InChIKeyUKAOQXKYFZVBHU-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.26
Rot. Bonds4

About 3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide

3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide (PubChem CID 106375701) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
PubChem CID106375701
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)CC(N)=NO)o1
InChIInChI=1S/C8H12N4O3/c1-5-3-11-8(15-5)4-10-7(13)2-6(9)12-14/h3,14H,2,4H2,1H3,(H2,9,12)(H,10,13)
InChIKeyUKAOQXKYFZVBHU-UHFFFAOYSA-N
XLogP-0.26
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.26
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'}

Analyze 3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide
CID 106372811
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106375720
3-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371442
(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 109374476
4-amino-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 103811604
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide
CID 106375729
4-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103811586
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350
2-(tert-butylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 103726080
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110660403
3-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 106371365

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide (CID 106375701) is 3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide is Cc1cnc(CNC(=O)CC(N)=NO)o1.
What is the InChIKey of 3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The InChIKey is UKAOQXKYFZVBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-5-3-11-8(15-5)4-10-7(13)2-6(9)12-14/h3,14H,2,4H2,1H3,(H2,9,12)(H,10,13).
What are the key properties of 3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide has a molecular weight of 212.21 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide is sourced from PubChem (CID 106375701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).