N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide

C16H16F3N3O2 — CID 128986490

IUPACN-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide
SMILESCn1nccc1[C@H]1OCC[C@@H]1NC(=O)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C16H16F3N3O2/c1-22-14(2-4-20-22)16-13(3-5-24-16)21-15(23)7-9-6-11(18)12(19)8-10(9)17/h2,4,6,8,13,16H,3,5,7H2,1H3,(H,21,23)/t13-,16-/m0/s1
InChIKeyYSLCEDTZQRDBBN-BBRMVZONSA-N
MW339.32 g/mol
LogP2.03
Rot. Bonds4

About N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide

N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide (PubChem CID 128986490) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide
PubChem CID128986490
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide
SMILESCn1nccc1[C@H]1OCC[C@@H]1NC(=O)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C16H16F3N3O2/c1-22-14(2-4-20-22)16-13(3-5-24-16)21-15(23)7-9-6-11(18)12(19)8-10(9)17/h2,4,6,8,13,16H,3,5,7H2,1H3,(H,21,23)/t13-,16-/m0/s1
InChIKeyYSLCEDTZQRDBBN-BBRMVZONSA-N
XLogP2.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide?
The IUPAC name of N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide (CID 128986490) is N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide?
The canonical SMILES for N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide is Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)Cc1cc(F)c(F)cc1F.
What is the InChIKey of N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide?
The InChIKey is YSLCEDTZQRDBBN-BBRMVZONSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-22-14(2-4-20-22)16-13(3-5-24-16)21-15(23)7-9-6-11(18)12(19)8-10(9)17/h2,4,6,8,13,16H,3,5,7H2,1H3,(H,21,23)/t13-,16-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide?
N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide has a molecular weight of 339.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-(2,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 128986490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).