5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole

C22H25N3O2 — CID 46923436

IUPAC5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole
SMILESCC1CCCCN1Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C22H25N3O2/c1-17-7-5-6-14-25(17)15-21-23-22(24-27-21)19-10-12-20(13-11-19)26-16-18-8-3-2-4-9-18/h2-4,8-13,17H,5-7,14-16H2,1H3
InChIKeyLONPHRVCDZFBKG-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.69
Rot. Bonds6

About 5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole

5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 46923436) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole
PubChem CID46923436
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole
SMILESCC1CCCCN1Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C22H25N3O2/c1-17-7-5-6-14-25(17)15-21-23-22(24-27-21)19-10-12-20(13-11-19)26-16-18-8-3-2-4-9-18/h2-4,8-13,17H,5-7,14-16H2,1H3
InChIKeyLONPHRVCDZFBKG-UHFFFAOYSA-N
XLogP4.69
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-phenylmethoxyphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 46923435
N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 95100369
[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008072
5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51924350
3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51593014
3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 99789838
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 46923473
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 29364003
5-[[(2S)-2-benzylpyrrolidin-1-yl]methyl]-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 25486784
5-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8856027
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole (CID 46923436) is 5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole is CC1CCCCN1Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1.
What is the InChIKey of 5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is LONPHRVCDZFBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-7-5-6-14-25(17)15-21-23-22(24-27-21)19-10-12-20(13-11-19)26-16-18-8-3-2-4-9-18/h2-4,8-13,17H,5-7,14-16H2,1H3.
What are the key properties of 5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole?
5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 363.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 46923436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).