3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide

C15H19N3O3 — CID 82735781

IUPAC3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
SMILESCN(Cc1c(C(=O)NN)oc2ccccc12)C1CCOC1
InChIInChI=1S/C15H19N3O3/c1-18(10-6-7-20-9-10)8-12-11-4-2-3-5-13(11)21-14(12)15(19)17-16/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyPNHTYOFZRVXLRN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.26
Rot. Bonds4

About 3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide

3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide (PubChem CID 82735781) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
PubChem CID82735781
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
SMILESCN(Cc1c(C(=O)NN)oc2ccccc12)C1CCOC1
InChIInChI=1S/C15H19N3O3/c1-18(10-6-7-20-9-10)8-12-11-4-2-3-5-13(11)21-14(12)15(19)17-16/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyPNHTYOFZRVXLRN-UHFFFAOYSA-N
XLogP1.26
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.26
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'}

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Related Compounds

3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63959061
3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63574192
3-[[methyl(piperidin-4-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 61404819
3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63571784
3-[[methyl(thiolan-3-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 43296850
3-(propylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63581746
5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 82753867
3-[(dimethylamino)methyl]-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 139005777
3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 95932852
3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 103540514
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide
CID 119427274

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide (CID 82735781) is 3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide is CN(Cc1c(C(=O)NN)oc2ccccc12)C1CCOC1.
What is the InChIKey of 3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is PNHTYOFZRVXLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18(10-6-7-20-9-10)8-12-11-4-2-3-5-13(11)21-14(12)15(19)17-16/h2-5,10H,6-9,16H2,1H3,(H,17,19).
What are the key properties of 3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide?
3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 289.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 82735781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).