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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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).