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

C14H17N3O — CID 43627431

IUPAC3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCCc1ccc(-c2noc(C3CCCN3)n2)cc1
InChIInChI=1S/C14H17N3O/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
InChIKeyYDDZMNUTRWMASR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.72
Rot. Bonds3

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

3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 43627431) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID43627431
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCCc1ccc(-c2noc(C3CCCN3)n2)cc1
InChIInChI=1S/C14H17N3O/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
InChIKeyYDDZMNUTRWMASR-UHFFFAOYSA-N
XLogP2.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.72
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;hydrochloride
CID 119999990
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
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
3-(4-ethylphenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104971418
5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole
CID 67225116
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?
The IUPAC name of 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 43627431) is 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole is CCc1ccc(-c2noc(C3CCCN3)n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is YDDZMNUTRWMASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/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.
What are the key properties of 3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 2.72, 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 is sourced from PubChem (CID 43627431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).