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

C15H20N6O2 — CID 128987520

IUPAC(2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nncn1C1CC1
InChIInChI=1S/C15H20N6O2/c1-2-20-7-6-16-13(20)12-11(5-8-23-12)14(22)18-15-19-17-9-21(15)10-3-4-10/h6-7,9-12H,2-5,8H2,1H3,(H,18,19,22)/t11-,12-/m1/s1
InChIKeyJZGZOWKOJIUSAE-VXGBXAGGSA-N
MW316.37 g/mol
LogP1.55
Rot. Bonds5

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

(2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide (PubChem CID 128987520) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide
PubChem CID128987520
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name(2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nncn1C1CC1
InChIInChI=1S/C15H20N6O2/c1-2-20-7-6-16-13(20)12-11(5-8-23-12)14(22)18-15-19-17-9-21(15)10-3-4-10/h6-7,9-12H,2-5,8H2,1H3,(H,18,19,22)/t11-,12-/m1/s1
InChIKeyJZGZOWKOJIUSAE-VXGBXAGGSA-N
XLogP1.55
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide (CID 128987520) is (2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide is CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nncn1C1CC1.
What is the InChIKey of (2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide?
The InChIKey is JZGZOWKOJIUSAE-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-2-20-7-6-16-13(20)12-11(5-8-23-12)14(22)18-15-19-17-9-21(15)10-3-4-10/h6-7,9-12H,2-5,8H2,1H3,(H,18,19,22)/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide?
(2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128987520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).