3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide

C9H15N3O2 — CID 90679866

IUPAC3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C)c1C(=O)NNC(C)C
InChIInChI=1S/C9H15N3O2/c1-5(2)10-11-9(13)8-6(3)12-14-7(8)4/h5,10H,1-4H3,(H,11,13)
InChIKeyHHWMZRCZOHLFHA-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.93
Rot. Bonds3

About 3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide

3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide (PubChem CID 90679866) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide
PubChem CID90679866
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C)c1C(=O)NNC(C)C
InChIInChI=1S/C9H15N3O2/c1-5(2)10-11-9(13)8-6(3)12-14-7(8)4/h5,10H,1-4H3,(H,11,13)
InChIKeyHHWMZRCZOHLFHA-UHFFFAOYSA-N
XLogP0.93
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-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 3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide (CID 90679866) is 3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide is Cc1noc(C)c1C(=O)NNC(C)C.
What is the InChIKey of 3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide?
The InChIKey is HHWMZRCZOHLFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(2)10-11-9(13)8-6(3)12-14-7(8)4/h5,10H,1-4H3,(H,11,13).
What are the key properties of 3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide?
3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide has a molecular weight of 197.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 90679866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).