3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole

C12H12ClN3O — CID 133282203

IUPAC3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(N3CCCC3)n2)c1
InChIInChI=1S/C12H12ClN3O/c13-10-5-3-4-9(8-10)11-14-12(17-15-11)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2
InChIKeyYHIWRHKEQPDTSQ-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.99
Rot. Bonds2

About 3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole

3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole (PubChem CID 133282203) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
PubChem CID133282203
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(N3CCCC3)n2)c1
InChIInChI=1S/C12H12ClN3O/c13-10-5-3-4-9(8-10)11-14-12(17-15-11)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2
InChIKeyYHIWRHKEQPDTSQ-UHFFFAOYSA-N
XLogP2.99
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 133323032
3-(3-chlorophenyl)-5-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133281508
3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol
CID 133315358
3-(3-chlorophenyl)-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133282480
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
2-[[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 133333645
2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 128961180
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453900
3-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46276326
[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813050
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813048
[(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol
CID 128979619

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole (CID 133282203) is 3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole is Clc1cccc(-c2noc(N3CCCC3)n2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole?
The InChIKey is YHIWRHKEQPDTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-5-3-4-9(8-10)11-14-12(17-15-11)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2.
What are the key properties of 3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole has a molecular weight of 249.70 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 133282203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).