5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride

C14H18ClN3O2 — CID 146064666

IUPAC5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESCc1ccc(OCc2nc(C3CCNC3)no2)cc1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-10-2-4-12(5-3-10)18-9-13-16-14(17-19-13)11-6-7-15-8-11;/h2-5,11,15H,6-9H2,1H3;1H
InChIKeyUUVBZEVBUDQGBQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.46
Rot. Bonds4

About 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride

5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 146064666) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID146064666
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESCc1ccc(OCc2nc(C3CCNC3)no2)cc1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-10-2-4-12(5-3-10)18-9-13-16-14(17-19-13)11-6-7-15-8-11;/h2-5,11,15H,6-9H2,1H3;1H
InChIKeyUUVBZEVBUDQGBQ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63025608
5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129493408
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692
5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 60773437
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959693
1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61495920
5-[(4-methoxyphenoxy)methyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453811
2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-ol
CID 75499143
5-[(4-methoxyphenoxy)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72917784
(1S)-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364095
N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115079579
1-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859393

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride (CID 146064666) is 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride is Cc1ccc(OCc2nc(C3CCNC3)no2)cc1.Cl.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is UUVBZEVBUDQGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-10-2-4-12(5-3-10)18-9-13-16-14(17-19-13)11-6-7-15-8-11;/h2-5,11,15H,6-9H2,1H3;1H.
What are the key properties of 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride?
5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 146064666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).