2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole

C18H25N3O2S — CID 128990900

IUPAC2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole
SMILESCc1ccc(CN2CCCCC2c2nnc(C3CCOCC3)o2)s1
InChIInChI=1S/C18H25N3O2S/c1-13-5-6-15(24-13)12-21-9-3-2-4-16(21)18-20-19-17(23-18)14-7-10-22-11-8-14/h5-6,14,16H,2-4,7-12H2,1H3
InChIKeyVEJUDUKFNNPMHP-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.06
Rot. Bonds4

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

2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole (PubChem CID 128990900) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole
PubChem CID128990900
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole
SMILESCc1ccc(CN2CCCCC2c2nnc(C3CCOCC3)o2)s1
InChIInChI=1S/C18H25N3O2S/c1-13-5-6-15(24-13)12-21-9-3-2-4-16(21)18-20-19-17(23-18)14-7-10-22-11-8-14/h5-6,14,16H,2-4,7-12H2,1H3
InChIKeyVEJUDUKFNNPMHP-UHFFFAOYSA-N
XLogP4.06
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole (CID 128990900) is 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole is Cc1ccc(CN2CCCCC2c2nnc(C3CCOCC3)o2)s1.
What is the InChIKey of 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole?
The InChIKey is VEJUDUKFNNPMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13-5-6-15(24-13)12-21-9-3-2-4-16(21)18-20-19-17(23-18)14-7-10-22-11-8-14/h5-6,14,16H,2-4,7-12H2,1H3.
What are the key properties of 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole?
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole has a molecular weight of 347.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 128990900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).