3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole

C19H22N4O2S — CID 128973495

IUPAC3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOC1(c2nc(Cc3ccccc3)no2)CCN(Cc2cscn2)CC1
InChIInChI=1S/C19H22N4O2S/c1-24-19(7-9-23(10-8-19)12-16-13-26-14-20-16)18-21-17(22-25-18)11-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3
InChIKeyDFJWIDULQHIJBT-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.25
Rot. Bonds6

About 3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole

3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 128973495) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID128973495
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOC1(c2nc(Cc3ccccc3)no2)CCN(Cc2cscn2)CC1
InChIInChI=1S/C19H22N4O2S/c1-24-19(7-9-23(10-8-19)12-16-13-26-14-20-16)18-21-17(22-25-18)11-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3
InChIKeyDFJWIDULQHIJBT-UHFFFAOYSA-N
XLogP3.25
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole (CID 128973495) is 3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole is COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2cscn2)CC1.
What is the InChIKey of 3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is DFJWIDULQHIJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-24-19(7-9-23(10-8-19)12-16-13-26-14-20-16)18-21-17(22-25-18)11-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3.
What are the key properties of 3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 370.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 128973495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).