N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide

C12H13NO4 — CID 110863146

IUPACN-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCOC1
InChIInChI=1S/C12H13NO4/c14-12(8-3-4-15-6-8)13-9-1-2-10-11(5-9)17-7-16-10/h1-2,5,8H,3-4,6-7H2,(H,13,14)
InChIKeyZELVBUNHAXZWDO-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.39
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide

N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide (PubChem CID 110863146) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
PubChem CID110863146
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC NameN-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCOC1
InChIInChI=1S/C12H13NO4/c14-12(8-3-4-15-6-8)13-9-1-2-10-11(5-9)17-7-16-10/h1-2,5,8H,3-4,6-7H2,(H,13,14)
InChIKeyZELVBUNHAXZWDO-UHFFFAOYSA-N
XLogP1.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
N-(1,3-benzodioxol-5-yl)-1,1-dioxothiane-4-carboxamide
CID 110863226
3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119668947
N-(1,3-benzodioxol-5-yl)thiane-3-carboxamide
CID 110863209
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150450
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
(1S,2S,4S)-N-(1,3-benzodioxol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079799
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
(1S,2R,4S)-N-(1,3-benzodioxol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7047583
3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 146134401
N-(4-ethynylphenyl)oxolane-3-carboxamide
CID 165452095
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide (CID 110863146) is N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCOC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide?
The InChIKey is ZELVBUNHAXZWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-12(8-3-4-15-6-8)13-9-1-2-10-11(5-9)17-7-16-10/h1-2,5,8H,3-4,6-7H2,(H,13,14).
What are the key properties of N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide?
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide is sourced from PubChem (CID 110863146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).