5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole

C13H17N3O2S — CID 163345490

IUPAC5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCC(Oc3nccs3)CC2)no1
InChIInChI=1S/C13H17N3O2S/c1-10-8-11(15-18-10)9-16-5-2-12(3-6-16)17-13-14-4-7-19-13/h4,7-8,12H,2-3,5-6,9H2,1H3
InChIKeyFMVKSSHOSCTWEP-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.48
Rot. Bonds4

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

5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 163345490) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID163345490
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCC(Oc3nccs3)CC2)no1
InChIInChI=1S/C13H17N3O2S/c1-10-8-11(15-18-10)9-16-5-2-12(3-6-16)17-13-14-4-7-19-13/h4,7-8,12H,2-3,5-6,9H2,1H3
InChIKeyFMVKSSHOSCTWEP-UHFFFAOYSA-N
XLogP2.48
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole 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 5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole (CID 163345490) is 5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCC(Oc3nccs3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is FMVKSSHOSCTWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-8-11(15-18-10)9-16-5-2-12(3-6-16)17-13-14-4-7-19-13/h4,7-8,12H,2-3,5-6,9H2,1H3.
What are the key properties of 5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 279.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 163345490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).