5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole

C21H19N3OS — CID 154070962

IUPAC5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(-c2cnccc2C(C)C)n1
InChIInChI=1S/C21H19N3OS/c1-13(2)16-9-10-22-11-17(16)21-23-18(12-26-21)19-14(3)25-24-20(19)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyYSYNCWDDOXARSM-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.96
Rot. Bonds4

About 5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole

5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole (PubChem CID 154070962) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole
PubChem CID154070962
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(-c2cnccc2C(C)C)n1
InChIInChI=1S/C21H19N3OS/c1-13(2)16-9-10-22-11-17(16)21-23-18(12-26-21)19-14(3)25-24-20(19)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyYSYNCWDDOXARSM-UHFFFAOYSA-N
XLogP5.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole (CID 154070962) is 5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1csc(-c2cnccc2C(C)C)n1.
What is the InChIKey of 5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole?
The InChIKey is YSYNCWDDOXARSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-13(2)16-9-10-22-11-17(16)21-23-18(12-26-21)19-14(3)25-24-20(19)15-7-5-4-6-8-15/h4-13H,1-3H3.
What are the key properties of 5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole?
5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole has a molecular weight of 361.47 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4-[2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 154070962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).