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

C12H12ClN3O2 — CID 106743243

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(-c3ccc(Cl)cc3)no2)CCNC1
InChIInChI=1S/C12H12ClN3O2/c13-9-3-1-8(2-4-9)10-15-11(18-16-10)12(17)5-6-14-7-12/h1-4,14,17H,5-7H2
InChIKeyMFEOHMXZTBHNDY-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.57
Rot. Bonds2

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

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743243) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743243
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(-c3ccc(Cl)cc3)no2)CCNC1
InChIInChI=1S/C12H12ClN3O2/c13-9-3-1-8(2-4-9)10-15-11(18-16-10)12(17)5-6-14-7-12/h1-4,14,17H,5-7H2
InChIKeyMFEOHMXZTBHNDY-UHFFFAOYSA-N
XLogP1.57
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743319
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950041
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743743
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61291995
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950142
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743581
3-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107923475
(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol
CID 92967135
3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
CID 86775615
3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743645
3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743618

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743243) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1(c2nc(-c3ccc(Cl)cc3)no2)CCNC1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is MFEOHMXZTBHNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-9-3-1-8(2-4-9)10-15-11(18-16-10)12(17)5-6-14-7-12/h1-4,14,17H,5-7H2.
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 265.70 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).