5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

C14H23N3O2 — CID 90488004

IUPAC5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(C3(C)CCOCC3)n2)CCNCC1
InChIInChI=1S/C14H23N3O2/c1-13(3-7-15-8-4-13)11-16-12(19-17-11)14(2)5-9-18-10-6-14/h15H,3-10H2,1-2H3
InChIKeySIPIQRYAFWXQDK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.78
Rot. Bonds2

About 5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 90488004) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID90488004
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(C3(C)CCOCC3)n2)CCNCC1
InChIInChI=1S/C14H23N3O2/c1-13(3-7-15-8-4-13)11-16-12(19-17-11)14(2)5-9-18-10-6-14/h15H,3-10H2,1-2H3
InChIKeySIPIQRYAFWXQDK-UHFFFAOYSA-N
XLogP1.78
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-oxadiazole, 3-(3-pyrrolidinylmethyl)-5-(tetrahydro-2H-pyran-4-yl)-
CID 86820422
4-Methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride
CID 71298861
4-((3-(Oxan-4-yl)-1,2,4-oxadiazol-5-yl)methyl)piperidine hydrochloride
CID 126802196
3-[3-(Oxan-4-YL)-1,2,4-oxadiazol-5-YL]piperidine
CID 65329468
3-{[3-(Oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
CID 65329586
3-(3-{2-[(Oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)piperidine
CID 86820614
4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 91918739
N-Methyl-3-{[5-(oxan-4-YL)-1,2,4-oxadiazol-3-YL]methyl}pyrrolidine-1-carboxamide
CID 110196110
3-{[5-(Oxan-4-YL)-1,2,4-oxadiazol-3-YL]methyl}-N-propylpyrrolidine-1-carboxamide
CID 124072176
N-(2-Methylpropyl)-3-{[5-(oxan-4-YL)-1,2,4-oxadiazol-3-YL]methyl}pyrrolidine-1-carboxamide
CID 124072178
N-(3-Methoxypropyl)-4-methyl-4-[5-(oxan-4-YL)-1,2,4-oxadiazol-3-YL]piperidine-1-carboxamide
CID 124072364
3-Methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123837

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 90488004) is 5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1(c2noc(C3(C)CCOCC3)n2)CCNCC1.
What is the InChIKey of 5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is SIPIQRYAFWXQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-13(3-7-15-8-4-13)11-16-12(19-17-11)14(2)5-9-18-10-6-14/h15H,3-10H2,1-2H3.
What are the key properties of 5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 265.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyloxan-4-yl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 90488004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).