3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride

C14H18ClN3O — CID 119999990

IUPAC3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCCc1ccc(-c2noc(C3CCCN3)n2)cc1.Cl
InChIInChI=1S/C14H17N3O.ClH/c1-2-10-5-7-11(8-6-10)13-16-14(18-17-13)12-4-3-9-15-12;/h5-8,12,15H,2-4,9H2,1H3;1H
InChIKeyMWJNEJAGZZOZRN-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.15
Rot. Bonds3

About 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride

3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 119999990) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID119999990
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCCc1ccc(-c2noc(C3CCCN3)n2)cc1.Cl
InChIInChI=1S/C14H17N3O.ClH/c1-2-10-5-7-11(8-6-10)13-16-14(18-17-13)12-4-3-9-15-12;/h5-8,12,15H,2-4,9H2,1H3;1H
InChIKeyMWJNEJAGZZOZRN-UHFFFAOYSA-N
XLogP3.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 43627431
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135973873
3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900526
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 75131265
5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole
CID 67225116
3-(4-ethylphenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104971418
2,6-dimethyl-4-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136746254

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride (CID 119999990) is 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride is CCc1ccc(-c2noc(C3CCCN3)n2)cc1.Cl.
What is the InChIKey of 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is MWJNEJAGZZOZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.ClH/c1-2-10-5-7-11(8-6-10)13-16-14(18-17-13)12-4-3-9-15-12;/h5-8,12,15H,2-4,9H2,1H3;1H.
What are the key properties of 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride?
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 119999990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).