2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole

C14H17N3O2 — CID 82044862

IUPAC2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(C2CCCNC2)o1
InChIInChI=1S/C14H17N3O2/c1-18-12-7-3-2-6-11(12)14-17-16-13(19-14)10-5-4-8-15-9-10/h2-3,6-7,10,15H,4-5,8-9H2,1H3
InChIKeyVURAKLCQHNRENE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.21
Rot. Bonds3

About 2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole

2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole (PubChem CID 82044862) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
PubChem CID82044862
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(C2CCCNC2)o1
InChIInChI=1S/C14H17N3O2/c1-18-12-7-3-2-6-11(12)14-17-16-13(19-14)10-5-4-8-15-9-10/h2-3,6-7,10,15H,4-5,8-9H2,1H3
InChIKeyVURAKLCQHNRENE-UHFFFAOYSA-N
XLogP2.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308656
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine
CID 95816648
3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 84610625
2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 20867361
2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82045304
2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole
CID 115045278
2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 99963762
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 132675743
2-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 132672869
methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
CID 105464818
3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 95733041

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole (CID 82044862) is 2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole is COc1ccccc1-c1nnc(C2CCCNC2)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole?
The InChIKey is VURAKLCQHNRENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-12-7-3-2-6-11(12)14-17-16-13(19-14)10-5-4-8-15-9-10/h2-3,6-7,10,15H,4-5,8-9H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole?
2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 82044862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).