(3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol

C14H16ClN3O2 — CID 111448298

IUPAC(3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C14H16ClN3O2/c15-11-3-1-2-10(8-11)14-16-13(20-17-14)5-7-18-6-4-12(19)9-18/h1-3,8,12,19H,4-7,9H2/t12-/m0/s1
InChIKeyQIDJSJFMNMJYFH-LBPRGKRZSA-N
MW293.75 g/mol
LogP2.00
Rot. Bonds4

About (3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol

(3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol (PubChem CID 111448298) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is (3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol
PubChem CID111448298
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name(3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C14H16ClN3O2/c15-11-3-1-2-10(8-11)14-16-13(20-17-14)5-7-18-6-4-12(19)9-18/h1-3,8,12,19H,4-7,9H2/t12-/m0/s1
InChIKeyQIDJSJFMNMJYFH-LBPRGKRZSA-N
XLogP2.00
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 139003136
(3R)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963343
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923283
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 47028787
5-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 124751901
3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 29084359
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide
CID 38155425
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 38155674
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963710
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 38155254
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111791621
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43152107

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol (CID 111448298) is (3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol is O[C@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1.
What is the InChIKey of (3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol?
The InChIKey is QIDJSJFMNMJYFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-11-3-1-2-10(8-11)14-16-13(20-17-14)5-7-18-6-4-12(19)9-18/h1-3,8,12,19H,4-7,9H2/t12-/m0/s1.
What are the key properties of (3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol?
(3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol has a molecular weight of 293.75 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 111448298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).