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

C15H21N5O2 — CID 128978857

IUPAC(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCCn1cc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2CC)cn1
InChIInChI=1S/C15H21N5O2/c1-3-19-7-6-16-14(19)13-12(5-8-22-13)15(21)18-11-9-17-20(4-2)10-11/h6-7,9-10,12-13H,3-5,8H2,1-2H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyKPROXXWXRQKEGN-CHWSQXEVSA-N
MW303.37 g/mol
LogP1.84
Rot. Bonds5

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

(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 128978857) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID128978857
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCCn1cc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2CC)cn1
InChIInChI=1S/C15H21N5O2/c1-3-19-7-6-16-14(19)13-12(5-8-22-13)15(21)18-11-9-17-20(4-2)10-11/h6-7,9-10,12-13H,3-5,8H2,1-2H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyKPROXXWXRQKEGN-CHWSQXEVSA-N
XLogP1.84
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide (CID 128978857) is (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide is CCn1cc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2CC)cn1.
What is the InChIKey of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is KPROXXWXRQKEGN-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-19-7-6-16-14(19)13-12(5-8-22-13)15(21)18-11-9-17-20(4-2)10-11/h6-7,9-10,12-13H,3-5,8H2,1-2H3,(H,18,21)/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide?
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128978857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).