5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C19H22N4O3 — CID 87053188

IUPAC5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(CN2CCC(OCc3nc(-c4ccncc4)no3)CC2)o1
InChIInChI=1S/C19H22N4O3/c1-14-2-3-17(25-14)12-23-10-6-16(7-11-23)24-13-18-21-19(22-26-18)15-4-8-20-9-5-15/h2-5,8-9,16H,6-7,10-13H2,1H3
InChIKeyMZRJAGHPZSKDPM-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.21
Rot. Bonds6

About 5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 87053188) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID87053188
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(CN2CCC(OCc3nc(-c4ccncc4)no3)CC2)o1
InChIInChI=1S/C19H22N4O3/c1-14-2-3-17(25-14)12-23-10-6-16(7-11-23)24-13-18-21-19(22-26-18)15-4-8-20-9-5-15/h2-5,8-9,16H,6-7,10-13H2,1H3
InChIKeyMZRJAGHPZSKDPM-UHFFFAOYSA-N
XLogP3.21
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[1-(furan-3-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 155900360
2,2-dimethyl-1-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]propan-1-one
CID 11175343
(4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
CID 11464779
pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
CID 11749160
3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 71687044
cyclobutyl-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 71687042
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
CID 163339527
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 163338624
1-(1-methylpiperidin-4-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 69077002
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 957363
1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 43655500
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 87053188) is 5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole is Cc1ccc(CN2CCC(OCc3nc(-c4ccncc4)no3)CC2)o1.
What is the InChIKey of 5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is MZRJAGHPZSKDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14-2-3-17(25-14)12-23-10-6-16(7-11-23)24-13-18-21-19(22-26-18)15-4-8-20-9-5-15/h2-5,8-9,16H,6-7,10-13H2,1H3.
What are the key properties of 5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 354.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 87053188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).