3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole

C19H25N3O3 — CID 133453174

IUPAC3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(N3CCC(OCC4CCOC4)CC3)n2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-2-4-16(5-3-14)18-20-19(25-21-18)22-9-6-17(7-10-22)24-13-15-8-11-23-12-15/h2-5,15,17H,6-13H2,1H3
InChIKeyUOZKWJQTGCOCST-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.07
Rot. Bonds5

About 3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole

3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 133453174) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID133453174
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(N3CCC(OCC4CCOC4)CC3)n2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-2-4-16(5-3-14)18-20-19(25-21-18)22-9-6-17(7-10-22)24-13-15-8-11-23-12-15/h2-5,15,17H,6-13H2,1H3
InChIKeyUOZKWJQTGCOCST-UHFFFAOYSA-N
XLogP3.07
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylphenyl)-5-(3-prop-2-enoxypyrrolidin-1-yl)-1,2,4-oxadiazole
CID 133465315
2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453081
8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline
CID 133453289
2-ethoxy-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453179
2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine
CID 133453237
2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133453307
4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine
CID 133453102
4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-3-carbonitrile
CID 133453132
1-(3-methyl-2-nitrophenyl)-4-[[(3R)-oxolan-3-yl]methoxy]piperidine
CID 100641385
1-(3-methyl-2-nitrophenyl)-4-[[(3S)-oxolan-3-yl]methoxy]piperidine
CID 100641373
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
(2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol
CID 133486075

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole (CID 133453174) is 3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole is Cc1ccc(-c2noc(N3CCC(OCC4CCOC4)CC3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is UOZKWJQTGCOCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-2-4-16(5-3-14)18-20-19(25-21-18)22-9-6-17(7-10-22)24-13-15-8-11-23-12-15/h2-5,15,17H,6-13H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 343.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133453174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).