[(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol

C13H13ClFN3O2 — CID 128979619

IUPAC[(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C13H13ClFN3O2/c14-9-3-1-2-8(4-9)12-16-13(20-17-12)18-6-10(15)5-11(18)7-19/h1-4,10-11,19H,5-7H2/t10-,11-/m0/s1
InChIKeyTUGXFFQORJXVFJ-QWRGUYRKSA-N
MW297.72 g/mol
LogP2.30
Rot. Bonds3

About [(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol

[(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128979619) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is [(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128979619
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC Name[(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C13H13ClFN3O2/c14-9-3-1-2-8(4-9)12-16-13(20-17-12)18-6-10(15)5-11(18)7-19/h1-4,10-11,19H,5-7H2/t10-,11-/m0/s1
InChIKeyTUGXFFQORJXVFJ-QWRGUYRKSA-N
XLogP2.30
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol with MolForge

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Related Compounds

(2S,4R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidine-2-carboxamide
CID 120928920
5-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 133323032
3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 133282203
[(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 128986665
3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol
CID 133315358
[(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 128975816
5-[1-(benzenesulfonyl)azetidin-3-yl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 121095496
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]butan-1-one
CID 121095144
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 127470154
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 7216459
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201685

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol (CID 128979619) is [(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](F)CN1c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of [(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is TUGXFFQORJXVFJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c14-9-3-1-2-8(4-9)12-16-13(20-17-12)18-6-10(15)5-11(18)7-19/h1-4,10-11,19H,5-7H2/t10-,11-/m0/s1.
What are the key properties of [(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 297.72 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128979619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).