N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide

C11H12N4O3S — CID 166295341

IUPACN'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)(C(=O)NNC(=O)c1ccon1)c1cnsc1
InChIInChI=1S/C11H12N4O3S/c1-11(2,7-5-12-19-6-7)10(17)14-13-9(16)8-3-4-18-15-8/h3-6H,1-2H3,(H,13,16)(H,14,17)
InChIKeyHPNZEAZXYUBEFU-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.87
Rot. Bonds3

About N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide

N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 166295341) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide
PubChem CID166295341
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC NameN'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)(C(=O)NNC(=O)c1ccon1)c1cnsc1
InChIInChI=1S/C11H12N4O3S/c1-11(2,7-5-12-19-6-7)10(17)14-13-9(16)8-3-4-18-15-8/h3-6H,1-2H3,(H,13,16)(H,14,17)
InChIKeyHPNZEAZXYUBEFU-UHFFFAOYSA-N
XLogP0.87
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 130679942
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-propan-2-yloxy-1,2-oxazole-3-carboxamide
CID 130688341
N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 83619403
N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 115364627
N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide
CID 166311393
N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
CID 62520148
3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid
CID 115909849
N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 96560012
N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 83187340
N-(2,6-diethylphenyl)-1,2-oxazole-3-carboxamide
CID 110858252
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 62659468

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide (CID 166295341) is N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide is CC(C)(C(=O)NNC(=O)c1ccon1)c1cnsc1.
What is the InChIKey of N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is HPNZEAZXYUBEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-11(2,7-5-12-19-6-7)10(17)14-13-9(16)8-3-4-18-15-8/h3-6H,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide?
N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 280.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-2-(1,2-thiazol-4-yl)propanoyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 166295341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).