5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole

C13H17N3O2S — CID 120836273

IUPAC5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESCOCC1(c2nc(-c3ccsc3)no2)CCNCC1
InChIInChI=1S/C13H17N3O2S/c1-17-9-13(3-5-14-6-4-13)12-15-11(16-18-12)10-2-7-19-8-10/h2,7-8,14H,3-6,9H2,1H3
InChIKeyRJNASYGYSPDLCE-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.07
Rot. Bonds4

About 5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole

5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 120836273) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID120836273
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESCOCC1(c2nc(-c3ccsc3)no2)CCNCC1
InChIInChI=1S/C13H17N3O2S/c1-17-9-13(3-5-14-6-4-13)12-15-11(16-18-12)10-2-7-19-8-10/h2,7-8,14H,3-6,9H2,1H3
InChIKeyRJNASYGYSPDLCE-UHFFFAOYSA-N
XLogP2.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylpiperidin-4-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 63124283
3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120835900
5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 120841643
3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120842233
5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
CID 120834711
3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120892284
4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840405
5-[4-(methoxymethyl)piperidin-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 120836392
3-[(4-fluorophenoxy)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120842825
3-[(4-fluorophenoxy)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120842824
5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120838673
3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120841526

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 120836273) is 5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole is COCC1(c2nc(-c3ccsc3)no2)CCNCC1.
What is the InChIKey of 5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is RJNASYGYSPDLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-17-9-13(3-5-14-6-4-13)12-15-11(16-18-12)10-2-7-19-8-10/h2,7-8,14H,3-6,9H2,1H3.
What are the key properties of 5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 279.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 120836273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).