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

C14H19N5O2 — CID 154737462

IUPAC(2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCCn1cc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)cn1
InChIInChI=1S/C14H19N5O2/c1-3-19-9-10(8-16-19)17-14(20)11-4-7-21-12(11)13-15-5-6-18(13)2/h5-6,8-9,11-12H,3-4,7H2,1-2H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyLKNKXZDPRYNVMV-VXGBXAGGSA-N
MW289.34 g/mol
LogP1.35
Rot. Bonds4

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

(2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (PubChem CID 154737462) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
PubChem CID154737462
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCCn1cc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)cn1
InChIInChI=1S/C14H19N5O2/c1-3-19-9-10(8-16-19)17-14(20)11-4-7-21-12(11)13-15-5-6-18(13)2/h5-6,8-9,11-12H,3-4,7H2,1-2H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyLKNKXZDPRYNVMV-VXGBXAGGSA-N
XLogP1.35
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.35
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-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (CID 154737462) is (2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is CCn1cc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)cn1.
What is the InChIKey of (2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The InChIKey is LKNKXZDPRYNVMV-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-19-9-10(8-16-19)17-14(20)11-4-7-21-12(11)13-15-5-6-18(13)2/h5-6,8-9,11-12H,3-4,7H2,1-2H3,(H,17,20)/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
(2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.35, 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-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 154737462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).