N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide

C12H15N3O3 — CID 166311393

IUPACN'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1C[C@H]2CC[C@H]2C1)c1ccon1
InChIInChI=1S/C12H15N3O3/c16-11(9-5-7-1-2-8(7)6-9)13-14-12(17)10-3-4-18-15-10/h3-4,7-9H,1-2,5-6H2,(H,13,16)(H,14,17)/t7-,8+,9?
InChIKeyBYRLMECHQZLVIC-JVHMLUBASA-N
MW249.27 g/mol
LogP0.87
Rot. Bonds2

About N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide

N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 166311393) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide
PubChem CID166311393
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1C[C@H]2CC[C@H]2C1)c1ccon1
InChIInChI=1S/C12H15N3O3/c16-11(9-5-7-1-2-8(7)6-9)13-14-12(17)10-3-4-18-15-10/h3-4,7-9H,1-2,5-6H2,(H,13,16)(H,14,17)/t7-,8+,9?
InChIKeyBYRLMECHQZLVIC-JVHMLUBASA-N
XLogP0.87
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide 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'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide (CID 166311393) is N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide is O=C(NNC(=O)C1C[C@H]2CC[C@H]2C1)c1ccon1.
What is the InChIKey of N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is BYRLMECHQZLVIC-JVHMLUBASA-N. The full InChI is InChI=1S/C12H15N3O3/c16-11(9-5-7-1-2-8(7)6-9)13-14-12(17)10-3-4-18-15-10/h3-4,7-9H,1-2,5-6H2,(H,13,16)(H,14,17)/t7-,8+,9?.
What are the key properties of N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide?
N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 249.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,5R)-bicyclo[3.2.0]heptane-3-carbonyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 166311393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).