(2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide

C20H26FN3O4 — CID 128974294

IUPAC(2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide
SMILESCOCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1ccc(OC)c(F)c1
InChIInChI=1S/C20H26FN3O4/c1-26-10-3-9-24-17(6-8-23-24)19-15(7-11-28-19)20(25)22-13-14-4-5-18(27-2)16(21)12-14/h4-6,8,12,15,19H,3,7,9-11,13H2,1-2H3,(H,22,25)/t15-,19-/m0/s1
InChIKeyWWTKQVYZWUDZIY-KXBFYZLASA-N
MW391.44 g/mol
LogP2.46
Rot. Bonds9

About (2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide

(2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 128974294) has the molecular formula C20H26FN3O4 and a molecular weight of 391.44 g/mol. Its IUPAC name is (2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID128974294
Molecular FormulaC20H26FN3O4
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name(2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide
SMILESCOCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1ccc(OC)c(F)c1
InChIInChI=1S/C20H26FN3O4/c1-26-10-3-9-24-17(6-8-23-24)19-15(7-11-28-19)20(25)22-13-14-4-5-18(27-2)16(21)12-14/h4-6,8,12,15,19H,3,7,9-11,13H2,1-2H3,(H,22,25)/t15-,19-/m0/s1
InChIKeyWWTKQVYZWUDZIY-KXBFYZLASA-N
XLogP2.46
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-N-[(3,4-difluorophenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide
CID 128974293
2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975161
(2S,3S)-N-[(6-chloro-3-pyridinyl)methyl]-2-[2-(2-methoxyphenyl)pyrazol-3-yl]oxolane-3-carboxamide
CID 128973049
(3R,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925219
(3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154814596
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128965082
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129000051
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045
(2S)-2-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 74250640
(2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 128980543
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide (CID 128974294) is (2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide is COCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1ccc(OC)c(F)c1.
What is the InChIKey of (2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is WWTKQVYZWUDZIY-KXBFYZLASA-N. The full InChI is InChI=1S/C20H26FN3O4/c1-26-10-3-9-24-17(6-8-23-24)19-15(7-11-28-19)20(25)22-13-14-4-5-18(27-2)16(21)12-14/h4-6,8,12,15,19H,3,7,9-11,13H2,1-2H3,(H,22,25)/t15-,19-/m0/s1.
What are the key properties of (2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide?
(2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128974294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).