3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide

C17H19F2N3O2 — CID 128986318

IUPAC3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide
SMILESCn1nccc1[C@H]1OCC[C@@H]1NC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C17H19F2N3O2/c1-22-15(6-8-20-22)17-14(7-9-24-17)21-16(23)5-2-11-10-12(18)3-4-13(11)19/h3-4,6,8,10,14,17H,2,5,7,9H2,1H3,(H,21,23)/t14-,17-/m0/s1
InChIKeyNYKMYTORFUAJMT-YOEHRIQHSA-N
MW335.35 g/mol
LogP2.28
Rot. Bonds5

About 3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide

3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide (PubChem CID 128986318) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide
PubChem CID128986318
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide
SMILESCn1nccc1[C@H]1OCC[C@@H]1NC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C17H19F2N3O2/c1-22-15(6-8-20-22)17-14(7-9-24-17)21-16(23)5-2-11-10-12(18)3-4-13(11)19/h3-4,6,8,10,14,17H,2,5,7,9H2,1H3,(H,21,23)/t14-,17-/m0/s1
InChIKeyNYKMYTORFUAJMT-YOEHRIQHSA-N
XLogP2.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide (CID 128986318) is 3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide is Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)CCc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide?
The InChIKey is NYKMYTORFUAJMT-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-22-15(6-8-20-22)17-14(7-9-24-17)21-16(23)5-2-11-10-12(18)3-4-13(11)19/h3-4,6,8,10,14,17H,2,5,7,9H2,1H3,(H,21,23)/t14-,17-/m0/s1.
What are the key properties of 3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide?
3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide has a molecular weight of 335.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide is sourced from PubChem (CID 128986318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).