3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide

C16H18FN3O3 — CID 128972203

IUPAC3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)cc1F
InChIInChI=1S/C16H18FN3O3/c1-20-7-6-18-15(20)14-12(5-8-23-14)19-16(21)10-3-4-13(22-2)11(17)9-10/h3-4,6-7,9,12,14H,5,8H2,1-2H3,(H,19,21)/t12-,14-/m0/s1
InChIKeyVZBUFSDLTBRNEJ-JSGCOSHPSA-N
MW319.34 g/mol
LogP1.83
Rot. Bonds4

About 3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide

3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide (PubChem CID 128972203) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide
PubChem CID128972203
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)cc1F
InChIInChI=1S/C16H18FN3O3/c1-20-7-6-18-15(20)14-12(5-8-23-14)19-16(21)10-3-4-13(22-2)11(17)9-10/h3-4,6-7,9,12,14H,5,8H2,1-2H3,(H,19,21)/t12-,14-/m0/s1
InChIKeyVZBUFSDLTBRNEJ-JSGCOSHPSA-N
XLogP1.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 128986100
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
CID 154738095
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide
CID 128989683
5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 128973427
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 129474958
3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 119101493
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 128986161

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide (CID 128972203) is 3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide is COc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide?
The InChIKey is VZBUFSDLTBRNEJ-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-20-7-6-18-15(20)14-12(5-8-23-14)19-16(21)10-3-4-13(22-2)11(17)9-10/h3-4,6-7,9,12,14H,5,8H2,1-2H3,(H,19,21)/t12-,14-/m0/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide?
3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide has a molecular weight of 319.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide is sourced from PubChem (CID 128972203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).