2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide

C15H18FN5O2 — CID 154768176

IUPAC2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide
SMILESCN(C[C@H]1OCC[C@H]1c1ncn[nH]1)C(=O)Cc1ncccc1F
InChIInChI=1S/C15H18FN5O2/c1-21(14(22)7-12-11(16)3-2-5-17-12)8-13-10(4-6-23-13)15-18-9-19-20-15/h2-3,5,9-10,13H,4,6-8H2,1H3,(H,18,19,20)/t10-,13-/m1/s1
InChIKeyBMTJRAGOBJTMLL-ZWNOBZJWSA-N
MW319.34 g/mol
LogP0.91
Rot. Bonds5

About 2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide

2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide (PubChem CID 154768176) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide
PubChem CID154768176
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide
SMILESCN(C[C@H]1OCC[C@H]1c1ncn[nH]1)C(=O)Cc1ncccc1F
InChIInChI=1S/C15H18FN5O2/c1-21(14(22)7-12-11(16)3-2-5-17-12)8-13-10(4-6-23-13)15-18-9-19-20-15/h2-3,5,9-10,13H,4,6-8H2,1H3,(H,18,19,20)/t10-,13-/m1/s1
InChIKeyBMTJRAGOBJTMLL-ZWNOBZJWSA-N
XLogP0.91
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide (CID 154768176) is 2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide is CN(C[C@H]1OCC[C@H]1c1ncn[nH]1)C(=O)Cc1ncccc1F.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide?
The InChIKey is BMTJRAGOBJTMLL-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-21(14(22)7-12-11(16)3-2-5-17-12)8-13-10(4-6-23-13)15-18-9-19-20-15/h2-3,5,9-10,13H,4,6-8H2,1H3,(H,18,19,20)/t10-,13-/m1/s1.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide?
2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide has a molecular weight of 319.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 154768176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).