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

C14H16ClN3O — CID 83070290

IUPAC3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccccc3Cl)no2)CCCN1
InChIInChI=1S/C14H16ClN3O/c1-2-14(8-5-9-16-14)13-17-12(18-19-13)10-6-3-4-7-11(10)15/h3-4,6-7,16H,2,5,8-9H2,1H3
InChIKeyOBRBENMXBMYYTN-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.38
Rot. Bonds3

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

3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 83070290) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID83070290
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccccc3Cl)no2)CCCN1
InChIInChI=1S/C14H16ClN3O/c1-2-14(8-5-9-16-14)13-17-12(18-19-13)10-6-3-4-7-11(10)15/h3-4,6-7,16H,2,5,8-9H2,1H3
InChIKeyOBRBENMXBMYYTN-UHFFFAOYSA-N
XLogP3.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one
CID 23645691
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide
CID 1860472
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-L-prolinamide
CID 16189892
3-(4-Chlorophenyl)-5-(1-pyrrolidinylmethyl)-1,2,4-oxadiazole
CID 727946
4-[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2033173
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylbutanamide
CID 2234500
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
CID 2234663
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide
CID 23605826
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclohexanamine
CID 957369
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide
CID 2979583
1-{[3-(2-chlorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-L-prolinamide
CID 16191539
Rac-(2-(3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl)(cyclobutyl)methanone
CID 42765274

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 83070290) is 3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCC1(c2nc(-c3ccccc3Cl)no2)CCCN1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is OBRBENMXBMYYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-14(8-5-9-16-14)13-17-12(18-19-13)10-6-3-4-7-11(10)15/h3-4,6-7,16H,2,5,8-9H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 277.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 83070290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).