5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride

C14H18ClN3O2 — CID 146064496

IUPAC5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCOc1ccc(-c2nc(CC3CCNC3)no2)cc1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-18-12-4-2-11(3-5-12)14-16-13(17-19-14)8-10-6-7-15-9-10;/h2-5,10,15H,6-9H2,1H3;1H
InChIKeyWXIMRTDFQIMVQQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.32
Rot. Bonds4

About 5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride

5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 146064496) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID146064496
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCOc1ccc(-c2nc(CC3CCNC3)no2)cc1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-18-12-4-2-11(3-5-12)14-16-13(17-19-14)8-10-6-7-15-9-10;/h2-5,10,15H,6-9H2,1H3;1H
InChIKeyWXIMRTDFQIMVQQ-UHFFFAOYSA-N
XLogP2.32
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyridin-4-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;dihydrochloride
CID 171321103
5-pyridin-4-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;trihydrochloride
CID 146050553
5-pyridin-4-yl-3-[[(3R)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96892691
5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221826
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 63221731
5-(4-methoxyphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015385
3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 120837019
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202
3-[(3,4-dimethoxyphenyl)methyl]-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120840020
3-[(4-methoxyphenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120838644

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride (CID 146064496) is 5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride is COc1ccc(-c2nc(CC3CCNC3)no2)cc1.Cl.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is WXIMRTDFQIMVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-18-12-4-2-11(3-5-12)14-16-13(17-19-14)8-10-6-7-15-9-10;/h2-5,10,15H,6-9H2,1H3;1H.
What are the key properties of 5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride?
5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 146064496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).