3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride

C13H16ClN3O — CID 166606249

IUPAC3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2CNCC2c2ccccc2)n1.Cl
InChIInChI=1S/C13H15N3O.ClH/c1-9-15-13(17-16-9)12-8-14-7-11(12)10-5-3-2-4-6-10;/h2-6,11-12,14H,7-8H2,1H3;1H
InChIKeyBAJCGQBXEZPOLS-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.27
Rot. Bonds2

About 3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride

3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 166606249) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID166606249
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2CNCC2c2ccccc2)n1.Cl
InChIInChI=1S/C13H15N3O.ClH/c1-9-15-13(17-16-9)12-8-14-7-11(12)10-5-3-2-4-6-10;/h2-6,11-12,14H,7-8H2,1H3;1H
InChIKeyBAJCGQBXEZPOLS-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride
CID 171149986
(3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide
CID 129417073
[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 129417393
[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129416756
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 124854834
methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate
CID 124760977
(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride
CID 162341594
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129417214
5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129418097
(4-methoxyphenyl)-[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 87051849
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 129418052
[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 129418054

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride (CID 166606249) is 3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride is Cc1noc(C2CNCC2c2ccccc2)n1.Cl.
What is the InChIKey of 3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is BAJCGQBXEZPOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.ClH/c1-9-15-13(17-16-9)12-8-14-7-11(12)10-5-3-2-4-6-10;/h2-6,11-12,14H,7-8H2,1H3;1H.
What are the key properties of 3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride?
3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 166606249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).