(2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide

C19H32N4O2 — CID 126454672

IUPAC(2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide
SMILESCC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@H]1CCO[C@H]1c1nccn1C
InChIInChI=1S/C19H32N4O2/c1-14(2)12-15(13-23-8-4-5-9-23)21-19(24)16-6-11-25-17(16)18-20-7-10-22(18)3/h7,10,14-17H,4-6,8-9,11-13H2,1-3H3,(H,21,24)/t15-,16+,17+/m0/s1
InChIKeyMBSLZFZEPLCQMS-GVDBMIGSSA-N
MW348.49 g/mol
LogP2.12
Rot. Bonds7

About (2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide

(2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide (PubChem CID 126454672) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide
PubChem CID126454672
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide
SMILESCC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@H]1CCO[C@H]1c1nccn1C
InChIInChI=1S/C19H32N4O2/c1-14(2)12-15(13-23-8-4-5-9-23)21-19(24)16-6-11-25-17(16)18-20-7-10-22(18)3/h7,10,14-17H,4-6,8-9,11-13H2,1-3H3,(H,21,24)/t15-,16+,17+/m0/s1
InChIKeyMBSLZFZEPLCQMS-GVDBMIGSSA-N
XLogP2.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide (CID 126454672) is (2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide is CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@H]1CCO[C@H]1c1nccn1C.
What is the InChIKey of (2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide?
The InChIKey is MBSLZFZEPLCQMS-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14(2)12-15(13-23-8-4-5-9-23)21-19(24)16-6-11-25-17(16)18-20-7-10-22(18)3/h7,10,14-17H,4-6,8-9,11-13H2,1-3H3,(H,21,24)/t15-,16+,17+/m0/s1.
What are the key properties of (2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide?
(2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1-methylimidazol-2-yl)-N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 126454672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).