3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide

C15H16N2O4 — CID 24644300

IUPAC3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2CCCO2)oc2ccccc12
InChIInChI=1S/C15H16N2O4/c1-9-10-5-2-3-6-11(10)21-13(9)15(19)17-16-14(18)12-7-4-8-20-12/h2-3,5-6,12H,4,7-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyNCUVXHAPWJJTEJ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.68
Rot. Bonds2

About 3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide

3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide (PubChem CID 24644300) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide
PubChem CID24644300
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2CCCO2)oc2ccccc12
InChIInChI=1S/C15H16N2O4/c1-9-10-5-2-3-6-11(10)21-13(9)15(19)17-16-14(18)12-7-4-8-20-12/h2-3,5-6,12H,4,7-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyNCUVXHAPWJJTEJ-UHFFFAOYSA-N
XLogP1.68
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 43048003
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384
N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 46652829
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
CID 95339435
N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 17405629
1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
CID 27685627
tert-butyl 3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]piperidine-1-carboxylate
CID 24515671
(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide (CID 24644300) is 3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)C2CCCO2)oc2ccccc12.
What is the InChIKey of 3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is NCUVXHAPWJJTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-10-5-2-3-6-11(10)21-13(9)15(19)17-16-14(18)12-7-4-8-20-12/h2-3,5-6,12H,4,7-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide?
3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 288.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 24644300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).