[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone

C16H15FN6O3 — CID 176989280

IUPAC[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(Cc2ccc(-n3nccn3)cn2)n1)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C16H15FN6O3/c17-12-7-22(8-14(12)24)16(25)13-9-26-15(21-13)5-10-1-2-11(6-18-10)23-19-3-4-20-23/h1-4,6,9,12,14,24H,5,7-8H2/t12-,14-/m0/s1
InChIKeyIUVRPWPZKRJNQW-JSGCOSHPSA-N
MW358.33 g/mol
LogP0.40
Rot. Bonds4

About [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone

[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 176989280) has the molecular formula C16H15FN6O3 and a molecular weight of 358.33 g/mol. Its IUPAC name is [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
PubChem CID176989280
Molecular FormulaC16H15FN6O3
Molecular Weight358.33 g/mol
Exact Mass358.12
IUPAC Name[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(Cc2ccc(-n3nccn3)cn2)n1)N1C[C@H](O)[C@@H](F)C1
InChIInChI=1S/C16H15FN6O3/c17-12-7-22(8-14(12)24)16(25)13-9-26-15(21-13)5-10-1-2-11(6-18-10)23-19-3-4-20-23/h1-4,6,9,12,14,24H,5,7-8H2/t12-,14-/m0/s1
InChIKeyIUVRPWPZKRJNQW-JSGCOSHPSA-N
XLogP0.40
TPSA110.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[6-(triazol-2-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989168
N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide
CID 176989202
[(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989467
N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
CID 176989599
[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989223
[2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone
CID 176989632
[2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
CID 176989674
[2-(aminomethyl)-1,3-oxazol-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 134708851
[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56713621
[(2S,3S)-3-[[3-hydroxy-1-[2-[[6-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]methoxy]-2-methylazetidin-1-yl]-[2-[[6-(triazol-2-yl)pyridazin-3-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989319
2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 176989327
3-fluoro-1-[2-[(6-phenylpyridazin-3-yl)methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carbonitrile
CID 176989505

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone (CID 176989280) is [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone is O=C(c1coc(Cc2ccc(-n3nccn3)cn2)n1)N1C[C@H](O)[C@@H](F)C1.
What is the InChIKey of [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is IUVRPWPZKRJNQW-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H15FN6O3/c17-12-7-22(8-14(12)24)16(25)13-9-26-15(21-13)5-10-1-2-11(6-18-10)23-19-3-4-20-23/h1-4,6,9,12,14,24H,5,7-8H2/t12-,14-/m0/s1.
What are the key properties of [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone?
[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 358.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 176989280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).