[2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone

C16H15F3N2O3 — CID 154806194

IUPAC[2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
SMILESC[C@@H]1OCCN(C(=O)c2ccnc(-c3ccco3)c2)[C@@H]1C(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c1-10-14(16(17,18)19)21(6-8-23-10)15(22)11-4-5-20-12(9-11)13-3-2-7-24-13/h2-5,7,9-10,14H,6,8H2,1H3/t10-,14-/m0/s1
InChIKeyMDFVRENNNIEGDC-HZMBPMFUSA-N
MW340.30 g/mol
LogP3.13
Rot. Bonds2

About [2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone

[2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 154806194) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is [2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID154806194
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name[2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
SMILESC[C@@H]1OCCN(C(=O)c2ccnc(-c3ccco3)c2)[C@@H]1C(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c1-10-14(16(17,18)19)21(6-8-23-10)15(22)11-4-5-20-12(9-11)13-3-2-7-24-13/h2-5,7,9-10,14H,6,8H2,1H3/t10-,14-/m0/s1
InChIKeyMDFVRENNNIEGDC-HZMBPMFUSA-N
XLogP3.13
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055971
(2-ethoxy-1,3-oxazol-4-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
CID 167946416
2-[2-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 167863445
[2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 136586594
2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide
CID 166402370
[2-(furan-2-yl)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 166256369
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
N-cyclopropyl-2-(furan-2-yl)-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 138023621
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
[2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 55047498
(2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone
CID 110727735
(2-bromo-4-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832524

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone (CID 154806194) is [2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone is C[C@@H]1OCCN(C(=O)c2ccnc(-c3ccco3)c2)[C@@H]1C(F)(F)F.
What is the InChIKey of [2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is MDFVRENNNIEGDC-HZMBPMFUSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-10-14(16(17,18)19)21(6-8-23-10)15(22)11-4-5-20-12(9-11)13-3-2-7-24-13/h2-5,7,9-10,14H,6,8H2,1H3/t10-,14-/m0/s1.
What are the key properties of [2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone?
[2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 340.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 154806194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).