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

C19H22N4O2S — CID 92598721

IUPAC2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCOc1cccc(CN2CCC[C@@H](c3nnc(-c4scnc4C)o3)C2)c1
InChIInChI=1S/C19H22N4O2S/c1-13-17(26-12-20-13)19-22-21-18(25-19)15-6-4-8-23(11-15)10-14-5-3-7-16(9-14)24-2/h3,5,7,9,12,15H,4,6,8,10-11H2,1-2H3/t15-/m1/s1
InChIKeyBJPZIVURNQPEEZ-OAHLLOKOSA-N
MW370.48 g/mol
LogP3.89
Rot. Bonds5

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

2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 92598721) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID92598721
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCOc1cccc(CN2CCC[C@@H](c3nnc(-c4scnc4C)o3)C2)c1
InChIInChI=1S/C19H22N4O2S/c1-13-17(26-12-20-13)19-22-21-18(25-19)15-6-4-8-23(11-15)10-14-5-3-7-16(9-14)24-2/h3,5,7,9,12,15H,4,6,8,10-11H2,1-2H3/t15-/m1/s1
InChIKeyBJPZIVURNQPEEZ-OAHLLOKOSA-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-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 92598721) is 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is COc1cccc(CN2CCC[C@@H](c3nnc(-c4scnc4C)o3)C2)c1.
What is the InChIKey of 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is BJPZIVURNQPEEZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-17(26-12-20-13)19-22-21-18(25-19)15-6-4-8-23(11-15)10-14-5-3-7-16(9-14)24-2/h3,5,7,9,12,15H,4,6,8,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-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-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92598721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).