2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole

C19H21N5O2 — CID 92601774

IUPAC2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESCOc1ccccc1CN1CCC(c2nnc(-c3cnccn3)o2)CC1
InChIInChI=1S/C19H21N5O2/c1-25-17-5-3-2-4-15(17)13-24-10-6-14(7-11-24)18-22-23-19(26-18)16-12-20-8-9-21-16/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3
InChIKeyWYHQGKNSTOBRHF-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.91
Rot. Bonds5

About 2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole

2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 92601774) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID92601774
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESCOc1ccccc1CN1CCC(c2nnc(-c3cnccn3)o2)CC1
InChIInChI=1S/C19H21N5O2/c1-25-17-5-3-2-4-15(17)13-24-10-6-14(7-11-24)18-22-23-19(26-18)16-12-20-8-9-21-16/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3
InChIKeyWYHQGKNSTOBRHF-UHFFFAOYSA-N
XLogP2.91
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92572835
2-[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 110236054
2-[1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 110236053
2-(2-methoxy-5-methylphenyl)-1-[(3S)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 92556137
2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-(1-methylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
CID 110247251
2-[1-[(8-methoxyquinolin-2-yl)methyl]piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 46956786
2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 110236060
2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92596398
2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 92563198
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110236030

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 92601774) is 2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is COc1ccccc1CN1CCC(c2nnc(-c3cnccn3)o2)CC1.
What is the InChIKey of 2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is WYHQGKNSTOBRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-25-17-5-3-2-4-15(17)13-24-10-6-14(7-11-24)18-22-23-19(26-18)16-12-20-8-9-21-16/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3.
What are the key properties of 2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 351.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92601774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).