(2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide

C16H22N6O2 — CID 128987509

IUPAC(2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nnc(C)n1C1CC1
InChIInChI=1S/C16H22N6O2/c1-3-21-8-7-17-14(21)13-12(6-9-24-13)15(23)18-16-20-19-10(2)22(16)11-4-5-11/h7-8,11-13H,3-6,9H2,1-2H3,(H,18,20,23)/t12-,13-/m1/s1
InChIKeyCIQXZYIBRJDSEJ-CHWSQXEVSA-N
MW330.39 g/mol
LogP1.85
Rot. Bonds5

About (2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide

(2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide (PubChem CID 128987509) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide
PubChem CID128987509
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nnc(C)n1C1CC1
InChIInChI=1S/C16H22N6O2/c1-3-21-8-7-17-14(21)13-12(6-9-24-13)15(23)18-16-20-19-10(2)22(16)11-4-5-11/h7-8,11-13H,3-6,9H2,1-2H3,(H,18,20,23)/t12-,13-/m1/s1
InChIKeyCIQXZYIBRJDSEJ-CHWSQXEVSA-N
XLogP1.85
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.85
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-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide (CID 128987509) is (2R,3R)-N-(4-cyclopropyl-5-methyl-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-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide is CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nnc(C)n1C1CC1.
What is the InChIKey of (2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide?
The InChIKey is CIQXZYIBRJDSEJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-21-8-7-17-14(21)13-12(6-9-24-13)15(23)18-16-20-19-10(2)22(16)11-4-5-11/h7-8,11-13H,3-6,9H2,1-2H3,(H,18,20,23)/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide?
(2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.85, 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-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128987509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).