5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole

C18H19N3OS — CID 51064026

IUPAC5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(C2CCNCC2)n1
InChIInChI=1S/C18H19N3OS/c1-12-16(17(21-22-12)13-5-3-2-4-6-13)15-11-23-18(20-15)14-7-9-19-10-8-14/h2-6,11,14,19H,7-10H2,1H3
InChIKeyJGNQGLVOXXPGDJ-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.24
Rot. Bonds3

About 5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole

5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole (PubChem CID 51064026) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole
PubChem CID51064026
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(C2CCNCC2)n1
InChIInChI=1S/C18H19N3OS/c1-12-16(17(21-22-12)13-5-3-2-4-6-13)15-11-23-18(20-15)14-7-9-19-10-8-14/h2-6,11,14,19H,7-10H2,1H3
InChIKeyJGNQGLVOXXPGDJ-UHFFFAOYSA-N
XLogP4.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole (CID 51064026) is 5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1csc(C2CCNCC2)n1.
What is the InChIKey of 5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole?
The InChIKey is JGNQGLVOXXPGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-16(17(21-22-12)13-5-3-2-4-6-13)15-11-23-18(20-15)14-7-9-19-10-8-14/h2-6,11,14,19H,7-10H2,1H3.
What are the key properties of 5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole?
5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole has a molecular weight of 325.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 51064026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).