5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide

C15H18N2O3 — CID 63577007

IUPAC5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
SMILESCC(C)c1cccc(OCc2ccc(C(=O)NN)o2)c1
InChIInChI=1S/C15H18N2O3/c1-10(2)11-4-3-5-12(8-11)19-9-13-6-7-14(20-13)15(18)17-16/h3-8,10H,9,16H2,1-2H3,(H,17,18)
InChIKeyMXJSJVKYNHCZAV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.59
Rot. Bonds5

About 5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide

5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide (PubChem CID 63577007) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
PubChem CID63577007
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
SMILESCC(C)c1cccc(OCc2ccc(C(=O)NN)o2)c1
InChIInChI=1S/C15H18N2O3/c1-10(2)11-4-3-5-12(8-11)19-9-13-6-7-14(20-13)15(18)17-16/h3-8,10H,9,16H2,1-2H3,(H,17,18)
InChIKeyMXJSJVKYNHCZAV-UHFFFAOYSA-N
XLogP2.59
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.59
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'}

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Related Compounds

N-[3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]phenyl]acetamide
CID 63574857
3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
CID 63575860
5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63570670
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908816
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 8623746
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide
CID 116804127
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide
CID 63568571

Frequently Asked Questions

What is the IUPAC name of 5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide (CID 63577007) is 5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide is CC(C)c1cccc(OCc2ccc(C(=O)NN)o2)c1.
What is the InChIKey of 5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is MXJSJVKYNHCZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)11-4-3-5-12(8-11)19-9-13-6-7-14(20-13)15(18)17-16/h3-8,10H,9,16H2,1-2H3,(H,17,18).
What are the key properties of 5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide?
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 274.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63577007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).