2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C19H22N4O2S — CID 92598894

IUPAC2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(CN2CCC(c3nnc(-c4scnc4C)o3)CC2)cc1
InChIInChI=1S/C19H22N4O2S/c1-13-17(26-12-20-13)19-22-21-18(25-19)15-7-9-23(10-8-15)11-14-3-5-16(24-2)6-4-14/h3-6,12,15H,7-11H2,1-2H3
InChIKeyKWLPOIHJAIIVLZ-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.89
Rot. Bonds5

About 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 92598894) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID92598894
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(CN2CCC(c3nnc(-c4scnc4C)o3)CC2)cc1
InChIInChI=1S/C19H22N4O2S/c1-13-17(26-12-20-13)19-22-21-18(25-19)15-7-9-23(10-8-15)11-14-3-5-16(24-2)6-4-14/h3-6,12,15H,7-11H2,1-2H3
InChIKeyKWLPOIHJAIIVLZ-UHFFFAOYSA-N
XLogP3.89
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 92598894) is 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is COc1ccc(CN2CCC(c3nnc(-c4scnc4C)o3)CC2)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is KWLPOIHJAIIVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-17(26-12-20-13)19-22-21-18(25-19)15-7-9-23(10-8-15)11-14-3-5-16(24-2)6-4-14/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 370.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92598894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).