(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide

C14H20N6O2 — CID 128987502

IUPAC(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide
SMILESCCn1cnnc1NC(=O)[C@@H]1CCO[C@H]1c1nccn1CC
InChIInChI=1S/C14H20N6O2/c1-3-19-7-6-15-12(19)11-10(5-8-22-11)13(21)17-14-18-16-9-20(14)4-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,17,18,21)/t10-,11-/m1/s1
InChIKeyUATFGEWHCWWWFT-GHMZBOCLSA-N
MW304.35 g/mol
LogP1.23
Rot. Bonds5

About (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide

(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide (PubChem CID 128987502) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide
PubChem CID128987502
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide
SMILESCCn1cnnc1NC(=O)[C@@H]1CCO[C@H]1c1nccn1CC
InChIInChI=1S/C14H20N6O2/c1-3-19-7-6-15-12(19)11-10(5-8-22-11)13(21)17-14-18-16-9-20(14)4-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,17,18,21)/t10-,11-/m1/s1
InChIKeyUATFGEWHCWWWFT-GHMZBOCLSA-N
XLogP1.23
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide (CID 128987502) is (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide is CCn1cnnc1NC(=O)[C@@H]1CCO[C@H]1c1nccn1CC.
What is the InChIKey of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide?
The InChIKey is UATFGEWHCWWWFT-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-3-19-7-6-15-12(19)11-10(5-8-22-11)13(21)17-14-18-16-9-20(14)4-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,17,18,21)/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide?
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128987502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).