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

C19H22N4OS — CID 110235609

IUPAC2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ccccc1CN1CCCC(c2nnc(-c3scnc3C)o2)C1
InChIInChI=1S/C19H22N4OS/c1-13-6-3-4-7-15(13)10-23-9-5-8-16(11-23)18-21-22-19(24-18)17-14(2)20-12-25-17/h3-4,6-7,12,16H,5,8-11H2,1-2H3
InChIKeyCMSFOOGGEZYMNA-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.19
Rot. Bonds4

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

2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 110235609) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID110235609
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ccccc1CN1CCCC(c2nnc(-c3scnc3C)o2)C1
InChIInChI=1S/C19H22N4OS/c1-13-6-3-4-7-15(13)10-23-9-5-8-16(11-23)18-21-22-19(24-18)17-14(2)20-12-25-17/h3-4,6-7,12,16H,5,8-11H2,1-2H3
InChIKeyCMSFOOGGEZYMNA-UHFFFAOYSA-N
XLogP4.19
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 110235609) is 2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1ccccc1CN1CCCC(c2nnc(-c3scnc3C)o2)C1.
What is the InChIKey of 2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is CMSFOOGGEZYMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-13-6-3-4-7-15(13)10-23-9-5-8-16(11-23)18-21-22-19(24-18)17-14(2)20-12-25-17/h3-4,6-7,12,16H,5,8-11H2,1-2H3.
What are the key properties of 2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 354.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 110235609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).