(2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

C17H20ClN3O2 — CID 128975447

IUPAC(2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCO[C@H]1c1nccn1C
InChIInChI=1S/C17H20ClN3O2/c1-20-9-8-19-16(20)15-13(7-10-23-15)17(22)21(2)11-12-5-3-4-6-14(12)18/h3-6,8-9,13,15H,7,10-11H2,1-2H3/t13-,15-/m1/s1
InChIKeyAEPVDFCNULKDEO-UKRRQHHQSA-N
MW333.82 g/mol
LogP2.81
Rot. Bonds4

About (2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

(2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (PubChem CID 128975447) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
PubChem CID128975447
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCO[C@H]1c1nccn1C
InChIInChI=1S/C17H20ClN3O2/c1-20-9-8-19-16(20)15-13(7-10-23-15)17(22)21(2)11-12-5-3-4-6-14(12)18/h3-6,8-9,13,15H,7,10-11H2,1-2H3/t13-,15-/m1/s1
InChIKeyAEPVDFCNULKDEO-UKRRQHHQSA-N
XLogP2.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128986472
(2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128980221
(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005523
2-amino-N-[(2-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682653
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673
(2R,3R)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128970673
(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide
CID 128986828
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
(2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide
CID 154878120
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750294

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (CID 128975447) is (2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCO[C@H]1c1nccn1C.
What is the InChIKey of (2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The InChIKey is AEPVDFCNULKDEO-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-20-9-8-19-16(20)15-13(7-10-23-15)17(22)21(2)11-12-5-3-4-6-14(12)18/h3-6,8-9,13,15H,7,10-11H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of (2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
(2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128975447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).