(2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

C17H19N3O4 — CID 128980221

IUPAC(2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C17H19N3O4/c1-20-7-6-18-16(20)15-12(5-8-22-15)17(21)19-9-11-3-2-4-13-14(11)24-10-23-13/h2-4,6-7,12,15H,5,8-10H2,1H3,(H,19,21)/t12-,15-/m1/s1
InChIKeyPEAFHPSLNWXNNT-IUODEOHRSA-N
MW329.36 g/mol
LogP1.54
Rot. Bonds4

About (2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

(2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (PubChem CID 128980221) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
PubChem CID128980221
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C17H19N3O4/c1-20-7-6-18-16(20)15-12(5-8-22-15)17(21)19-9-11-3-2-4-13-14(11)24-10-23-13/h2-4,6-7,12,15H,5,8-10H2,1H3,(H,19,21)/t12-,15-/m1/s1
InChIKeyPEAFHPSLNWXNNT-IUODEOHRSA-N
XLogP1.54
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (CID 128980221) is (2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCc1cccc2c1OCO2.
What is the InChIKey of (2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The InChIKey is PEAFHPSLNWXNNT-IUODEOHRSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-20-7-6-18-16(20)15-12(5-8-22-15)17(21)19-9-11-3-2-4-13-14(11)24-10-23-13/h2-4,6-7,12,15H,5,8-10H2,1H3,(H,19,21)/t12-,15-/m1/s1.
What are the key properties of (2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
(2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128980221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).