(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide

C17H21N3O2 — CID 129006215

IUPAC(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide
SMILESC[C@H](C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-12(13-6-4-3-5-7-13)17(21)19-15-8-9-22-16(15)14-10-18-20(2)11-14/h3-7,10-12,15-16H,8-9H2,1-2H3,(H,19,21)/t12-,15-,16+/m0/s1
InChIKeyZMHXYVRYVUCFJR-VBNZEHGJSA-N
MW299.37 g/mol
LogP2.17
Rot. Bonds4

About (2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide

(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide (PubChem CID 129006215) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide
PubChem CID129006215
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide
SMILESC[C@H](C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-12(13-6-4-3-5-7-13)17(21)19-15-8-9-22-16(15)14-10-18-20(2)11-14/h3-7,10-12,15-16H,8-9H2,1-2H3,(H,19,21)/t12-,15-,16+/m0/s1
InChIKeyZMHXYVRYVUCFJR-VBNZEHGJSA-N
XLogP2.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968627
2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
CID 126784719
1-[(1R)-1-(2,6-dimethylphenyl)ethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 100630575
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 129006244
trans-(1R,2R)-2-cyclopropyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129400376
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 128975029
2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128992337
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide
CID 136586548
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]thiophene-2-carboxamide
CID 128997659
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 154800221
1,3-dihydroisoindol-2-yl-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone
CID 128994244

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide (CID 129006215) is (2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide is C[C@H](C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1)c1ccccc1.
What is the InChIKey of (2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide?
The InChIKey is ZMHXYVRYVUCFJR-VBNZEHGJSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(13-6-4-3-5-7-13)17(21)19-15-8-9-22-16(15)14-10-18-20(2)11-14/h3-7,10-12,15-16H,8-9H2,1-2H3,(H,19,21)/t12-,15-,16+/m0/s1.
What are the key properties of (2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide?
(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide has a molecular weight of 299.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide is sourced from PubChem (CID 129006215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).