5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide

C16H20N2O3 — CID 948639

IUPAC5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NN)o2)cc1
InChIInChI=1S/C16H20N2O3/c1-16(2,3)11-4-6-12(7-5-11)20-10-13-8-9-14(21-13)15(19)18-17/h4-9H,10,17H2,1-3H3,(H,18,19)
InChIKeyHMQCCNVWLFAOLM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.76
Rot. Bonds4

About 5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide

5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide (PubChem CID 948639) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide
PubChem CID948639
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NN)o2)cc1
InChIInChI=1S/C16H20N2O3/c1-16(2,3)11-4-6-12(7-5-11)20-10-13-8-9-14(21-13)15(19)18-17/h4-9H,10,17H2,1-3H3,(H,18,19)
InChIKeyHMQCCNVWLFAOLM-UHFFFAOYSA-N
XLogP2.76
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-tert-butylphenoxy)methyl]furan-2-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-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide (CID 948639) is 5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide is CC(C)(C)c1ccc(OCc2ccc(C(=O)NN)o2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is HMQCCNVWLFAOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2,3)11-4-6-12(7-5-11)20-10-13-8-9-14(21-13)15(19)18-17/h4-9H,10,17H2,1-3H3,(H,18,19).
What are the key properties of 5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide?
5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 288.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 948639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).