(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

C15H17FN4O2 — CID 94021616

IUPAC(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)n1cncn1
InChIInChI=1S/C15H17FN4O2/c1-11(20-10-17-9-18-20)15(21)19-6-7-22-14(8-19)12-2-4-13(16)5-3-12/h2-5,9-11,14H,6-8H2,1H3/t11-,14-/m1/s1
InChIKeyQMUQKKPUWHYBKQ-BXUZGUMPSA-N
MW304.33 g/mol
LogP1.58
Rot. Bonds3

About (2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 94021616) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID94021616
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)n1cncn1
InChIInChI=1S/C15H17FN4O2/c1-11(20-10-17-9-18-20)15(21)19-6-7-22-14(8-19)12-2-4-13(16)5-3-12/h2-5,9-11,14H,6-8H2,1H3/t11-,14-/m1/s1
InChIKeyQMUQKKPUWHYBKQ-BXUZGUMPSA-N
XLogP1.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one
CID 56815461
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
(2S)-1-[(2R)-2-methylmorpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94000206
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 61165503
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 111109338
(2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one
CID 125432054
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95580110
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 79410838
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]benzamide
CID 55564010
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of (2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (CID 94021616) is (2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is C[C@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)n1cncn1.
What is the InChIKey of (2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is QMUQKKPUWHYBKQ-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-11(20-10-17-9-18-20)15(21)19-6-7-22-14(8-19)12-2-4-13(16)5-3-12/h2-5,9-11,14H,6-8H2,1H3/t11-,14-/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 304.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 94021616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).