[2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone

C18H15ClFN3O4 — CID 176989674

IUPAC[2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1coc(COc2ccc(Cl)c3cccnc23)n1)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C18H15ClFN3O4/c19-11-3-4-15(17-10(11)2-1-5-21-17)26-9-16-22-13(8-27-16)18(25)23-6-12(20)14(24)7-23/h1-5,8,12,14,24H,6-7,9H2/t12-,14-/m1/s1
InChIKeyWAEXZKBEGRXGMB-TZMCWYRMSA-N
MW391.79 g/mol
LogP2.61
Rot. Bonds4

About [2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone

[2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 176989674) has the molecular formula C18H15ClFN3O4 and a molecular weight of 391.79 g/mol. Its IUPAC name is [2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID176989674
Molecular FormulaC18H15ClFN3O4
Molecular Weight391.79 g/mol
Exact Mass391.07
IUPAC Name[2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1coc(COc2ccc(Cl)c3cccnc23)n1)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C18H15ClFN3O4/c19-11-3-4-15(17-10(11)2-1-5-21-17)26-9-16-22-13(8-27-16)18(25)23-6-12(20)14(24)7-23/h1-5,8,12,14,24H,6-7,9H2/t12-,14-/m1/s1
InChIKeyWAEXZKBEGRXGMB-TZMCWYRMSA-N
XLogP2.61
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 95394174
(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 95552350
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[6-(triazol-2-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989168
[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989280
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone
CID 119409930
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone
CID 26391635
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95200568
1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855059
[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56713621
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone
CID 124611264
[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558658
[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 42300285

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone (CID 176989674) is [2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone is O=C(c1coc(COc2ccc(Cl)c3cccnc23)n1)N1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of [2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is WAEXZKBEGRXGMB-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H15ClFN3O4/c19-11-3-4-15(17-10(11)2-1-5-21-17)26-9-16-22-13(8-27-16)18(25)23-6-12(20)14(24)7-23/h1-5,8,12,14,24H,6-7,9H2/t12-,14-/m1/s1.
What are the key properties of [2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
[2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 391.79 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 176989674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).