(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide

C17H20FN3O2 — CID 129005523

IUPAC(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C17H20FN3O2/c1-20(10-12-5-3-4-6-15(12)18)17(22)14-7-8-23-16(14)13-9-19-21(2)11-13/h3-6,9,11,14,16H,7-8,10H2,1-2H3/t14-,16+/m0/s1
InChIKeyNAGWZIAIEQNNOJ-GOEBONIOSA-N
MW317.36 g/mol
LogP2.30
Rot. Bonds4

About (2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 129005523) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is (2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID129005523
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C17H20FN3O2/c1-20(10-12-5-3-4-6-15(12)18)17(22)14-7-8-23-16(14)13-9-19-21(2)11-13/h3-6,9,11,14,16H,7-8,10H2,1-2H3/t14-,16+/m0/s1
InChIKeyNAGWZIAIEQNNOJ-GOEBONIOSA-N
XLogP2.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-N-[(2-fluorophenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918484
1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968627
1,3-dihydroisoindol-2-yl-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone
CID 128994244
(2S,3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
CID 128966174
(2R,3R)-2-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-3-carboxamide
CID 154878120
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide
CID 128970695
N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129472427
(2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128975447
(3R,4S)-N-benzyl-N-[(2-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925139
(3R,4S)-N-benzyl-N-[(2-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120925138
2-amino-N-[(2-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682173
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (CID 129005523) is (2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is CN(Cc1ccccc1F)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1.
What is the InChIKey of (2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is NAGWZIAIEQNNOJ-GOEBONIOSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20(10-12-5-3-4-6-15(12)18)17(22)14-7-8-23-16(14)13-9-19-21(2)11-13/h3-6,9,11,14,16H,7-8,10H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129005523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).