5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

C14H16N4O2 — CID 63569942

IUPAC5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC1Cc2ccccc2N1Cc1cc(C(=O)NN)no1
InChIInChI=1S/C14H16N4O2/c1-9-6-10-4-2-3-5-13(10)18(9)8-11-7-12(17-20-11)14(19)16-15/h2-5,7,9H,6,8,15H2,1H3,(H,16,19)
InChIKeyXWFQJFTXPKPSLX-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.23
Rot. Bonds3

About 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63569942) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63569942
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC1Cc2ccccc2N1Cc1cc(C(=O)NN)no1
InChIInChI=1S/C14H16N4O2/c1-9-6-10-4-2-3-5-13(10)18(9)8-11-7-12(17-20-11)14(19)16-15/h2-5,7,9H,6,8,15H2,1H3,(H,16,19)
InChIKeyXWFQJFTXPKPSLX-UHFFFAOYSA-N
XLogP1.23
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-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 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 63569942) is 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is CC1Cc2ccccc2N1Cc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is XWFQJFTXPKPSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-6-10-4-2-3-5-13(10)18(9)8-11-7-12(17-20-11)14(19)16-15/h2-5,7,9H,6,8,15H2,1H3,(H,16,19).
What are the key properties of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 272.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63569942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).